2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(4-pyridylamino)pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(pyridin-4-ylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(4-pyridylamino)pyrimidine-5-carbonitrile Formula: C24H17N7S MolecularWeight: 435.50368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=NC4=CC=CC=C4N3)NC5=CC=NC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=NC4=CC=CC=C4N3)NC5=CC=NC=C5)C#N

InChI

InChI=1S/C24H17N7S/c25-14-18-22(16-6-2-1-3-7-16)30-24(31-23(18)27-17-10-12-26-13-11-17)32-15-21-28-19-8-4-5-9-20(19)29-21/h1-13H,15H2,(H,28,29)(H,26,27,30,31)