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

Systemtic Name: 2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]butanedioic acid Openeye Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]butanedioic acid CAS Name: 2-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]amino]butanedioic acid IUPAC Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]butanedioic acid Traditional Name: 2-[(7-benzyl-6-keto-3H-purin-2-yl)amino]succinic acid Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c22-11(23)6-10(15(25)26)18-16-19-13-12(14(24)20-16)21(8-17-13)7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,22,23)(H,25,26)(H2,18,19,20,24)