5-[[5-bromanyl-4-[(2-methylsulfanylphenyl)amino]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride

Systemtic Name: 5-[[5-bromanyl-4-[(2-methylsulfanylphenyl)amino]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride Openeye Name: 5-[[5-bromo-4-(2-methylsulfanylanilino)pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride CAS Name: 5-[[5-bromo-4-[2-(methylthio)anilino]-2-pyrimidinyl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride IUPAC Name: 5-[[5-bromo-4-(2-methylsulfanylanilino)pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride Traditional Name: 5-[[5-bromo-4-[2-(methylthio)anilino]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one hydrochloride Formula: C18H16BrClN6OS MolecularWeight: 479.78124

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)NC(=O)N4.Cl

Isomeric SMILES

CSC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)NC(=O)N4.Cl

InChI

InChI=1S/C18H15BrN6OS.ClH/c1-27-15-5-3-2-4-13(15)22-16-11(19)9-20-17(25-16)21-10-6-7-12-14(8-10)24-18(26)23-12;/h2-9H,1H3,(H2,23,24,26)(H2,20,21,22,25);1H