ethyl 5-methyl-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC=C3C=CC(=O)C(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC=C3C=CC(=O)C(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N4O6S/c1-3-27-17(24)14-9(2)13-15(28-14)18-8-20(16(13)23)19-7-10-4-5-12(22)11(6-10)21(25)26/h4-8,19H,3H2,1-2H3