2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-phenacyl-1-piperazinyl)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-phenacylpiperazino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C31H27N7OS MolecularWeight: 545.65738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CC=C2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CC=C2)C3=NC(=NC(=C3C#N)C4=CC=CC=C4)SCC5=NC6=CC=CC=C6N5

InChI

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