N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine CAS Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(1,3-benzothiazol-2-yl)anilino]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H17N7S MolecularWeight: 399.47158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17N7S/c1-13-11-19(28-27-13)25-18-9-10-22-21(26-18)23-15-6-4-5-14(12-15)20-24-16-7-2-3-8-17(16)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28)