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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(2-phenylethanoyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(2-phenylacetyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(2-phenylacetyl)piperazin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-[4-(2-phenylacetyl)piperazino]pyrimidine-5-carbonitrile Formula: C31H27N7OS MolecularWeight: 545.65738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C31H27N7OS/c32-20-24-29(23-11-5-2-6-12-23)35-31(40-21-27-33-25-13-7-8-14-26(25)34-27)36-30(24)38-17-15-37(16-18-38)28(39)19-22-9-3-1-4-10-22/h1-14H,15-19,21H2,(H,33,34)