2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(4-tosylpiperazino)pyrimidine-5-carbonitrile Formula: C30H27N7O2S2 MolecularWeight: 581.71108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33)