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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(phenylcarbonyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-benzoylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-benzoyl-1-piperazinyl)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-benzoylpiperazin-1-yl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-benzoylpiperazino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C30H25N7OS MolecularWeight: 531.6308

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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)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C30H25N7OS/c31-19-23-27(21-9-3-1-4-10-21)34-30(39-20-26-32-24-13-7-8-14-25(24)33-26)35-28(23)36-15-17-37(18-16-36)29(38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,32,33)