5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrimidine

Systemtic Name: 5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrimidine Openeye Name: 5-(m-tolyl)-2-(4-pyridyl)-4-[1-(3-thienylmethyl)-4-piperidyl]pyrimidine CAS Name: 5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(3-thiophenylmethyl)-4-piperidinyl]pyrimidine IUPAC Name: 5-(3-methylphenyl)-2-pyridin-4-yl-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrimidine Traditional Name: 5-(m-tolyl)-2-(4-pyridyl)-4-[1-(3-thenyl)-4-piperidyl]pyrimidine Formula: C26H26N4S MolecularWeight: 426.57644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCN(CC3)CC4=CSC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCN(CC3)CC4=CSC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H26N4S/c1-19-3-2-4-23(15-19)24-16-28-26(22-5-10-27-11-6-22)29-25(24)21-7-12-30(13-8-21)17-20-9-14-31-18-20/h2-6,9-11,14-16,18,21H,7-8,12-13,17H2,1H3