ethyl 5-methyl-2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-methyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-methyl-2-(4-nitrophenyl)-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-3-24-16(21)13-12-11(8(2)25-13)15(20)18-14(17-12)9-4-6-10(7-5-9)19(22)23/h4-7,14,17H,3H2,1-2H3,(H,18,20)