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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3N)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3N)NC4=CC(=CC(=C4)C)C

InChI

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