4-(3,5-dimethylimidazol-4-yl)-2-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-(3,5-dimethylimidazol-4-yl)-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-(3,5-dimethylimidazol-4-yl)pyrimidine CAS Name: 4-(3,5-dimethyl-4-imidazolyl)-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-(3,5-dimethylimidazol-4-yl)pyrimidine Traditional Name: 2-(benzylthio)-4-(3,5-dimethylimidazol-4-yl)pyrimidine Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=N1)C)C2=NC(=NC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C=N1)C)C2=NC(=NC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4S/c1-12-15(20(2)11-18-12)14-8-9-17-16(19-14)21-10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3