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

Systemtic Name: 1-[3-(5-methyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[3-[5-methyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-(3-thienyl)ethanone CAS Name: 1-[3-[5-methyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[3-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[3-[5-methyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-2-(3-thienyl)ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CSC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CSC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-11-23-21(17-4-2-7-22-12-17)24-20(15)18-5-3-8-25(13-18)19(26)10-16-6-9-27-14-16/h2,4,6-7,9,11-12,14,18H,3,5,8,10,13H2,1H3