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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrobenzoyl)piperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrobenzoyl)piperazin-1-yl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(4-nitrobenzoyl)piperazino]-6-phenyl-pyrimidine-5-carbonitrile Formula: C30H24N8O3S MolecularWeight: 576.62836

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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=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H24N8O3S/c31-18-23-27(20-6-2-1-3-7-20)34-30(42-19-26-32-24-8-4-5-9-25(24)33-26)35-28(23)36-14-16-37(17-15-36)29(39)21-10-12-22(13-11-21)38(40)41/h1-13H,14-17,19H2,(H,32,33)