N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-3-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-5-methyl-3-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-keto-3-[2-keto-2-(2-methylpiperidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H22ClFN4O3S MolecularWeight: 476.951483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C22H22ClFN4O3S/c1-12-5-3-4-8-28(12)17(29)10-27-11-25-21-18(22(27)31)13(2)19(32-21)20(30)26-14-6-7-16(24)15(23)9-14/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,26,30)