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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1H-benzimidazol-2-ylmethylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-besylpiperazino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C29H25N7O2S2 MolecularWeight: 567.6845

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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)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C29H25N7O2S2/c30-19-23-27(21-9-3-1-4-10-21)33-29(39-20-26-31-24-13-7-8-14-25(24)32-26)34-28(23)35-15-17-36(18-16-35)40(37,38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,31,32)