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

Systemtic Name: 1-[4-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(2-methyl-5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[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)C2CCN(CC2)C(=O)CC3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)C(=O)CC3=CC=CS3)C4=CC=NC=C4

InChI

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