ethyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

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