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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CC3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CC3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-23-13-19(16-6-8-22-9-7-16)21(24-15)17-4-2-10-25(14-17)20(26)12-18-5-3-11-27-18/h3,5-9,11,13,17H,2,4,10,12,14H2,1H3