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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-piperazin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-piperazin-1-yl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-piperazin-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-piperazino-pyrimidine-5-carbonitrile Formula: C23H21N7S MolecularWeight: 427.52474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H21N7S/c24-14-17-21(16-6-2-1-3-7-16)28-23(29-22(17)30-12-10-25-11-13-30)31-15-20-26-18-8-4-5-9-19(18)27-20/h1-9,25H,10-13,15H2,(H,26,27)