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

Systemtic Name: ethyl 4-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]benzoate Openeye Name: ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoate CAS Name: 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoate Traditional Name: 4-[(2,6-diketo-3-methyl-7H-purin-8-yl)methylamino]benzoic acid ethyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4/c1-3-25-15(23)9-4-6-10(7-5-9)17-8-11-18-12-13(19-11)21(2)16(24)20-14(12)22/h4-7,17H,3,8H2,1-2H3,(H,18,19)(H,20,22,24)