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

Systemtic Name: 2-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]amino]ethanoate Openeye Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]acetate CAS Name: 2-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]amino]acetate IUPAC Name: 2-[(7-benzyl-6-oxo-3H-purin-2-yl)amino]acetate Traditional Name: 2-[(7-benzyl-6-keto-3H-purin-2-yl)amino]acetate Formula: C14H12N5O3- MolecularWeight: 298.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)NCC(=O)[O-]

InChI

InChI=1S/C14H13N5O3/c20-10(21)6-15-14-17-12-11(13(22)18-14)19(8-16-12)7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,20,21)(H2,15,17,18,22)/p-1