methyl 4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzoate

Systemtic Name: methyl 4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzoate Openeye Name: methyl 4-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methylamino]benzoate CAS Name: 4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoate Traditional Name: 4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methylamino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H19N5O4/c1-20-12(9-18-11-7-5-10(6-8-11)16(24)26-4)19-14-13(20)15(23)22(3)17(25)21(14)2/h5-8,18H,9H2,1-4H3