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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-cyclopentyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-cyclopentyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-cyclopentyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-cyclopentyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3-cyclopentyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C26H24N4O3S3 MolecularWeight: 536.68876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5CCCC5

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5CCCC5

InChI

InChI=1S/C26H24N4O3S3/c1-2-33-25(32)21-19(17(12-27)22(28)36-21)14-35-26-29-23-20(24(31)30(26)16-10-6-7-11-16)18(13-34-23)15-8-4-3-5-9-15/h3-5,8-9,13,16H,2,6-7,10-11,14,28H2,1H3