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

Systemtic Name: N-(4-bromophenyl)-4,6-bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1,3,5-triazin-2-amine Openeye Name: N-(4-bromophenyl)-4,6-bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1,3,5-triazin-2-amine CAS Name: N-(4-bromophenyl)-4,6-bis[(4,6-dimethyl-2-pyrimidinyl)thio]-1,3,5-triazin-2-amine IUPAC Name: N-(4-bromophenyl)-4,6-bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1,3,5-triazin-2-amine Traditional Name: [4,6-bis[(4,6-dimethylpyrimidin-2-yl)thio]-s-triazin-2-yl]-(4-bromophenyl)amine Formula: C21H19BrN8S2 MolecularWeight: 527.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)SC4=NC(=CC(=N4)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)SC4=NC(=CC(=N4)C)C)C

InChI

InChI=1S/C21H19BrN8S2/c1-11-9-12(2)24-18(23-11)31-20-28-17(27-16-7-5-15(22)6-8-16)29-21(30-20)32-19-25-13(3)10-14(4)26-19/h5-10H,1-4H3,(H,27,28,29,30)