ethyl 6-cyano-9-(4-methoxyphenyl)-2-oxidanylidene-purine-1-carboxylate

Systemtic Name: ethyl 6-cyano-9-(4-methoxyphenyl)-2-oxidanylidene-purine-1-carboxylate Openeye Name: ethyl 6-cyano-9-(4-methoxyphenyl)-2-oxo-purine-1-carboxylate CAS Name: 6-cyano-9-(4-methoxyphenyl)-2-oxo-1-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-9-(4-methoxyphenyl)-2-oxopurine-1-carboxylate Traditional Name: 6-cyano-2-keto-9-(4-methoxyphenyl)purine-1-carboxylic acid ethyl ester Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=C2C(=NC1=O)N(C=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)N1C(=C2C(=NC1=O)N(C=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C16H13N5O4/c1-3-25-16(23)21-12(8-17)13-14(19-15(21)22)20(9-18-13)10-4-6-11(24-2)7-5-10/h4-7,9H,3H2,1-2H3