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2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]pentanedioic acid

2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]pentanedioic acid

Systemtic Name:2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]pentanedioic acid
Openeye Name:2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]pentanedioic acid
CAS Name:2-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]amino]pentanedioic acid
IUPAC Name:2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]pentanedioic acid
Traditional Name:2-[(7-benzyl-6-keto-3H-purin-2-yl)amino]glutaric acid
Formula: C17H17N5O5
MolecularWeight: 371.34738
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NC(CCC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NC(CCC(=O)O)C(=O)O


InChI

InChI=1S/C17H17N5O5/c23-12(24)7-6-11(16(26)27)19-17-20-14-13(15(25)21-17)22(9-18-14)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,23,24)(H,26,27)(H2,19,20,21,25)


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