2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(thiazol-2-ylamino)pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(2-thiazolylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(thiazol-2-ylamino)pyrimidine-5-carbonitrile Formula: C22H15N7S2 MolecularWeight: 441.5314

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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=NC=CS5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=NC4=CC=CC=C4N3)NC5=NC=CS5)C#N

InChI

InChI=1S/C22H15N7S2/c23-12-15-19(14-6-2-1-3-7-14)27-22(29-20(15)28-21-24-10-11-30-21)31-13-18-25-16-8-4-5-9-17(16)26-18/h1-11H,13H2,(H,25,26)(H,24,27,28,29)