N-(4-fluorophenyl)-4-[[6-(2-methylphenyl)-8-(oxan-4-yl)-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4-[[6-(2-methylphenyl)-8-(oxan-4-yl)-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4-[[6-(o-tolyl)-7-oxo-8-tetrahydropyran-4-yl-pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4-[[6-(2-methylphenyl)-8-(4-oxanyl)-7-oxo-2-pyrido[2,3-d]pyrimidinyl]amino]-1-piperidinecarbothioamide IUPAC Name: N-(4-fluorophenyl)-4-[[6-(2-methylphenyl)-8-(oxan-4-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-[[7-keto-6-(o-tolyl)-8-tetrahydropyran-4-yl-pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carbothioamide Formula: C31H33FN6O2S MolecularWeight: 572.696123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=CN=C(N=C3N(C2=O)C4CCOCC4)NC5CCN(CC5)C(=S)NC6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=CN=C(N=C3N(C2=O)C4CCOCC4)NC5CCN(CC5)C(=S)NC6=CC=C(C=C6)F

InChI

InChI=1S/C31H33FN6O2S/c1-20-4-2-3-5-26(20)27-18-21-19-33-30(36-28(21)38(29(27)39)25-12-16-40-17-13-25)34-24-10-14-37(15-11-24)31(41)35-23-8-6-22(32)7-9-23/h2-9,18-19,24-25H,10-17H2,1H3,(H,35,41)(H,33,34,36)