169287-79-0
(2-BENZHYDRYLOXYCARBONYLAMINO-6-OXO-1,6-DIHYDRO-PURIN-9-YL)-ACETIC ACID
Name
(2-BENZHYDRYLOXYCARBONYLAMINO-6-OXO-1,6-DIHYDRO-PURIN-9-YL)-ACETIC ACID
Formula
C21 H17 N5 O5
MolWeight
419.395
1Identification
【Name】
(2-BENZHYDRYLOXYCARBONYLAMINO-6-OXO-1,6-DIHYDRO-PURIN-9-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD09261307
【English Synonyms】
【Formula】
C21 H17 N5 O5
【MolWeight】
419.395
【Inchi】
InChI=1S/C21H17N5O5/c27-15(28)11-26-12-22-16-18(26)23-20(24-19(16)29)25-21(30)31-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,17H,11H2,(H,27,28)(H2,23,24,25,29,30)
【InChIKey】
InChIKey=JGZVALGHHYRQFC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(c2ccccc2)OC(=O)Nc3[nH]c(=O)c4c(n3)n(cn4)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-BENZHYDRYLOXYCARBONYLAMINO-6-OXO-1,6-DIHYDRO-PURIN-9-YL)-ACETIC ACID.cml
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