4-[(3-cyano-4-methyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(3-cyano-4-methyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-cyano-4-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-cyano-4-methylanilino)-N-(1-methyl-4-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-cyano-4-methylanilino)-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-cyano-4-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C=C(SC3=NC=N2)C(=O)NC4CCN(CC4)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C=C(SC3=NC=N2)C(=O)NC4CCN(CC4)C)C#N

InChI

InChI=1S/C21H22N6OS/c1-13-3-4-16(9-14(13)11-22)25-19-17-10-18(29-21(17)24-12-23-19)20(28)26-15-5-7-27(2)8-6-15/h3-4,9-10,12,15H,5-8H2,1-2H3,(H,26,28)(H,23,24,25)