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

Systemtic Name: [3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-3-yl-methanone Openeye Name: [3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-(3-thienyl)methanone CAS Name: [3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-(3-thiophenyl)methanone IUPAC Name: [3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone Traditional Name: [3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-(3-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=CSC=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CSC=C3)SCC4=CN=CC=C4

InChI

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