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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethanoate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)amino]acetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)amino]acetate IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)amino]acetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)amino]acetate Formula: C17H18N5O4- MolecularWeight: 356.35592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(16(19-14)18-10-12(23)24)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,19)(H,23,24)/p-1