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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)N

InChI

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