4-(azepan-1-yl)-N-(4-bromophenyl)-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-(4-bromophenyl)-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine Openeye Name: 4-(azepan-1-yl)-N-(4-bromophenyl)-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine CAS Name: 4-(1-azepanyl)-N-(4-bromophenyl)-6-[(4,6-dimethyl-2-pyrimidinyl)thio]-1,3,5-triazin-2-amine IUPAC Name: 4-(azepan-1-yl)-N-(4-bromophenyl)-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine Traditional Name: [4-(azepan-1-yl)-6-[(4,6-dimethylpyrimidin-2-yl)thio]-s-triazin-2-yl]-(4-bromophenyl)amine Formula: C21H24BrN7S MolecularWeight: 486.43116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)N4CCCCCC4)C

InChI

InChI=1S/C21H24BrN7S/c1-14-13-15(2)24-20(23-14)30-21-27-18(25-17-9-7-16(22)8-10-17)26-19(28-21)29-11-5-3-4-6-12-29/h7-10,13H,3-6,11-12H2,1-2H3,(H,25,26,27,28)