N6-(3,5-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3,5-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3,5-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(3,5-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3,5-dimethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H20N6S MolecularWeight: 376.478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3N)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3N)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C20H20N6S/c1-11-7-12(2)9-14(8-11)24-18-16(21)19(23-10-22-18)26-20-25-17-13(3)5-4-6-15(17)27-20/h4-10H,21H2,1-3H3,(H2,22,23,24,25,26)