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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N4O3S2/c1-3-29-22(28)18-15(14(9-23)19(24)30-18)10-26-11-25-20-16(21(26)27)12(2)17(31-20)13-7-5-4-6-8-13/h4-8,11H,3,10,24H2,1-2H3