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

Systemtic Name: N4-ethyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-ethyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(m-tolyl)pyrimidine-4,5,6-triamine CAS Name: N4-ethyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-ethyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(4-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6S/c1-4-27(15-9-5-7-13(2)11-15)20-17(22)19(23-12-24-20)26-21-25-18-14(3)8-6-10-16(18)28-21/h5-12H,4,22H2,1-3H3,(H,23,24,25,26)