N-(3-bromophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine hydrochloride

Systemtic Name: N-(3-bromophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-amine hydrochloride Openeye Name: 2-benzylsulfanyl-N-(3-bromophenyl)-6-methyl-pyrimidin-4-amine hydrochloride CAS Name: N-(3-bromophenyl)-6-methyl-2-(phenylmethylthio)-4-pyrimidinamine hydrochloride IUPAC Name: 2-benzylsulfanyl-N-(3-bromophenyl)-6-methylpyrimidin-4-amine hydrochloride Traditional Name: [2-(benzylthio)-6-methyl-pyrimidin-4-yl]-(3-bromophenyl)amine hydrochloride Formula: C18H17BrClN3S MolecularWeight: 422.76968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)Br.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)Br.Cl

InChI

InChI=1S/C18H16BrN3S.ClH/c1-13-10-17(21-16-9-5-8-15(19)11-16)22-18(20-13)23-12-14-6-3-2-4-7-14;/h2-11H,12H2,1H3,(H,20,21,22);1H