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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC(=O)[O-]

InChI

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