4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-phenyl-4-(p-tolylsulfanyl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[(4-methylphenyl)thio]-2-phenyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-phenyl-4-(p-tolylthio)-6-pyrrolidino-pyrimidine Formula: C21H21N3S MolecularWeight: 347.47654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3S/c1-16-9-11-18(12-10-16)25-20-15-19(24-13-5-6-14-24)22-21(23-20)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3