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

Systemtic Name: methyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-amino]benzoate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]benzoate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-methyl-amino]benzoic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C16H17N5O4/c1-19(10-8-6-5-7-9(10)14(23)25-4)15-17-11-12(18-15)20(2)16(24)21(3)13(11)22/h5-8H,1-4H3,(H,17,18)