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771499-27-5
[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID

Formula

C18 H26 N4 O4 S

MolWeight

394.493

CCD No.

CCD00538379

CAS

771499-27-5

MDL

MFCD06347910

1Identification

【Name】

[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID

【CAS】

771499-27-5

【MDL】

MFCD06347910

【English Synonyms】

[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID

((2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-YL)SULFANYL)ACETIC ACID

2-((2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-YL)SULFANYL)ACETIC ACID

(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDRO-PYRIMIDO[4,5-D]PYRIMIDIN-4-YLSULFANYL)-CETIC ACID

【Formula】

C18 H26 N4 O4 S

【MolWeight】

394.493

【Inchi】

InChI=1S/C18H26N4O4S/c1-4-6-7-8-9-12-19-15-14(16(20-12)27-11-13(23)24)17(25)21(3)18(26)22(15)10-5-2/h4-11H2,1-3H3,(H,23,24)

【InChIKey】

InChIKey=KMSBHAKZUVLGMX-UHFFFAOYSA-N

【SMILES】

CCCCCCc1nc2c(c(n1)SCC(=O)O)c(=O)n(c(=O)n2CCC)C

【MOL File】

[(2-HEXYL-6-METHYL-5….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:8

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID.cml

Quick Release

TOP Suppliers

Enamine
Catalog No:EN300-10507 500MG
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771499-27-5 [(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

771499-27-5
[(2-HEXYL-6-METHYL-5,7-DIOXO-8-PROPYL-5,6,7,8-TETRAHYDROPYRIMIDO[4,5-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID