730992-63-9
[3-BENZYL-7-(2-METHOXYETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL]ACETIC ACID
Name[3-BENZYL-7-(2-METHOXYETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL]ACETIC ACID
1Identification
【Name】
[3-BENZYL-7-(2-METHOXYETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD04624255
【English Synonyms】
【Formula】
C17 H18 N4 O5
【MolWeight】
358.352
【Inchi】
InChI=1S/C17H18N4O5/c1-26-8-7-19-11-18-15-14(19)16(24)21(10-13(22)23)17(25)20(15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,22,23)
【InChIKey】
InChIKey=NLZFHSVWGQTEIB-UHFFFAOYSA-N
【SMILES】
COCCn1cnc2c1c(=O)n(c(=O)n2Cc3ccccc3)CC(=O)O
【MOL File】
[3-BENZYL-7-(2-METHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3-BENZYL-7-(2-METHOXYETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL]ACETIC ACID.cml