2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]ethanoate

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]ethanoate Openeye Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)amino]acetate CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]amino]acetate IUPAC Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]acetate Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)amino]acetate Formula: C16H16N5O4- MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O4/c1-19-13-12(14(24)20(2)16(19)25)21(9-10-6-4-3-5-7-10)15(18-13)17-8-11(22)23/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)/p-1