1-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]amino]thiourea

Systemtic Name: 1-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]amino]thiourea Openeye Name: [[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]amino]thiourea CAS Name: [[2-(1H-benzimidazol-2-ylmethylthio)-5-cyano-6-phenyl-4-pyrimidinyl]amino]thiourea IUPAC Name: [[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenylpyrimidin-4-yl]amino]thiourea Traditional Name: [[2-(1H-benzimidazol-2-ylmethylthio)-5-cyano-6-phenyl-pyrimidin-4-yl]amino]thiourea Formula: C20H16N8S2 MolecularWeight: 432.52464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=NC4=CC=CC=C4N3)NNC(=S)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=NC4=CC=CC=C4N3)NNC(=S)N)C#N

InChI

InChI=1S/C20H16N8S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(26-18(13)27-28-19(22)29)30-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,28,29)(H,25,26,27)