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

Systemtic Name: [(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-(2-thienyl)methanone CAS Name: [(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]-(2-thienyl)methanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC=CS3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC=CS3)SCC4=CC=CC=N4

InChI

InChI=1S/C21H22N4OS2/c1-15-12-23-21(28-14-17-7-2-3-9-22-17)24-19(15)16-6-4-10-25(13-16)20(26)18-8-5-11-27-18/h2-3,5,7-9,11-12,16H,4,6,10,13-14H2,1H3/t16-/m0/s1