methyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzoate

Systemtic Name: methyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzoate Openeye Name: methyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]benzoic acid methyl ester Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C15H15N5O4/c1-19-11-10(12(21)20(2)15(19)23)17-14(18-11)16-9-7-5-4-6-8(9)13(22)24-3/h4-7H,1-3H3,(H2,16,17,18)