2-methylsulfanyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-phenyl-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-6-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C22H21N5S MolecularWeight: 387.50064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCN(CC2)C3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCN(CC2)C3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-28-22-24-20(17-8-4-2-5-9-17)19(16-23)21(25-22)27-14-12-26(13-15-27)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3