726153-21-5
(1-BUTYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
Name(1-BUTYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
1Identification
【Name】
(1-BUTYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD03964604
【English Synonyms】
【Formula】
C13 H17 N3 O5
【MolWeight】
295.293
【Inchi】
InChI=1S/C13H17N3O5/c1-3-4-5-16-10-9(12(20)15(2)13(16)21)7(6-8(17)18)11(19)14-10/h7H,3-6H2,1-2H3,(H,14,19)(H,17,18)
【InChIKey】
InChIKey=XBWXLGKVOUZYKI-UHFFFAOYSA-N
【SMILES】
CCCCn1c2c(c(=O)n(c1=O)C)C(C(=O)N2)CC(=O)O
【MOL File】
(1-BUTYL-3-METHYL-2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-BUTYL-3-METHYL-2,4,6-TRIOXO-2,3,4,5,6,7-HEXAHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ACETIC ACID.cml