1-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine

Systemtic Name: 1-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine Openeye Name: 1-(3-pyridylmethyl)-2-[2-(3-pyridylmethylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine CAS Name: 1-(3-pyridinylmethyl)-2-[2-(3-pyridinylmethylthio)phenyl]-5,6-dihydro-4H-pyrimidine IUPAC Name: 1-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine Traditional Name: 1-(3-pyridylmethyl)-2-[2-(3-pyridylmethylthio)phenyl]-5,6-dihydro-4H-pyrimidine Formula: C22H22N4S MolecularWeight: 374.50188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N(C1)CC2=CN=CC=C2)C3=CC=CC=C3SCC4=CN=CC=C4

Isomeric SMILES

C1CN=C(N(C1)CC2=CN=CC=C2)C3=CC=CC=C3SCC4=CN=CC=C4

InChI

InChI=1S/C22H22N4S/c1-2-9-21(27-17-19-7-4-11-24-15-19)20(8-1)22-25-12-5-13-26(22)16-18-6-3-10-23-14-18/h1-4,6-11,14-15H,5,12-13,16-17H2