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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=NC4=CC=CC=C4S3

InChI

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