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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H16N6S/c1-22-19-14(11-21)18(13-7-3-2-4-8-13)25-20(26-19)27-12-17-23-15-9-5-6-10-16(15)24-17/h2-10H,12H2,1H3,(H,23,24)(H,22,25,26)