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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-keto-3-[2-keto-2-(3-methylpiperidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H22F2N4O3S MolecularWeight: 460.496886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=C(C=C(C=C4)F)F)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=C(C=C(C=C4)F)F)C

InChI

InChI=1S/C22H22F2N4O3S/c1-12-4-3-7-27(9-12)17(29)10-28-11-25-21-18(22(28)31)13(2)19(32-21)20(30)26-16-6-5-14(23)8-15(16)24/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,26,30)