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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-methyl-1-piperazinyl)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(4-methylpiperazino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C24H23N7S MolecularWeight: 441.55132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H23N7S/c1-30-11-13-31(14-12-30)23-18(15-25)22(17-7-3-2-4-8-17)28-24(29-23)32-16-21-26-19-9-5-6-10-20(19)27-21/h2-10H,11-14,16H2,1H3,(H,26,27)