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

Systemtic Name: N2-[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Openeye Name: N2-[4-(1,3-benzothiazol-2-yl)-3-methoxy-phenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine CAS Name: N2-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)-3-methoxy-anilino]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7OS/c1-13-11-20(29-28-13)26-19-9-10-23-22(27-19)24-14-7-8-15(17(12-14)30-2)21-25-16-5-3-4-6-18(16)31-21/h3-12H,1-2H3,(H3,23,24,26,27,28,29)