1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-3-(2-thienyl)propan-1-one Formula: C23H26N4OS2 MolecularWeight: 438.60874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC=CS3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC=CS3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H26N4OS2/c1-17-13-25-23(30-16-18-5-2-10-24-14-18)26-22(17)19-6-3-11-27(15-19)21(28)9-8-20-7-4-12-29-20/h2,4-5,7,10,12-14,19H,3,6,8-9,11,15-16H2,1H3