1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N6OS/c1-14-11-15(2)24-22(23-14)30-13-20-27-18-12-17(9-10-19(18)28(20)3)26-21(29)25-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H2,25,26,29)