1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone Openeye Name: 1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-thiazol-4-yl-ethanone CAS Name: 1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-2-(4-thiazolyl)ethanone IUPAC Name: 1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone Traditional Name: 1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-2-thiazol-4-yl-ethanone Formula: C21H23N5OS2 MolecularWeight: 425.57022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CSC=N3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CSC=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS2/c1-15-9-23-21(29-12-16-4-2-6-22-10-16)25-20(15)17-5-3-7-26(11-17)19(27)8-18-13-28-14-24-18/h2,4,6,9-10,13-14,17H,3,5,7-8,11-12H2,1H3