1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one Openeye Name: 5-[(6-benzylsulfanylpyrimidin-4-yl)amino]-1,3-dimethyl-benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[6-(phenylmethylthio)-4-pyrimidinyl]amino]-2-benzimidazolone IUPAC Name: 5-[(6-benzylsulfanylpyrimidin-4-yl)amino]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[[6-(benzylthio)pyrimidin-4-yl]amino]-1,3-dimethyl-benzimidazol-2-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC3=CC(=NC=N3)SCC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC3=CC(=NC=N3)SCC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)