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

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]thiourea Openeye Name: [2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]thiourea CAS Name: [2-(1H-benzimidazol-2-ylmethylthio)-5-cyano-6-phenyl-4-pyrimidinyl]thiourea IUPAC Name: [2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenylpyrimidin-4-yl]thiourea Traditional Name: [2-(1H-benzimidazol-2-ylmethylthio)-5-cyano-6-phenyl-pyrimidin-4-yl]thiourea Formula: C20H15N7S2 MolecularWeight: 417.51

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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)NC(=S)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N7S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28)