ethyl 5-azanyl-4-cyano-3-[(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC)SC(=C2C)C

InChI

InChI=1S/C19H20N4O3S3/c1-5-23-17(24)13-9(3)10(4)28-16(13)22-19(23)27-8-12-11(7-20)15(21)29-14(12)18(25)26-6-2/h5-6,8,21H2,1-4H3