N2-(5-ethylsulfonyl-2-methoxy-phenyl)-N4-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine

Systemtic Name: N2-(5-ethylsulfonyl-2-methoxy-phenyl)-N4-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine Openeye Name: N2-(5-ethylsulfonyl-2-methoxy-phenyl)-N4-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine CAS Name: N2-(5-ethylsulfonyl-2-methoxyphenyl)-N4-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine Traditional Name: [2-(5-esyl-2-methoxy-anilino)pyrimidin-4-yl]-(3-methyl-2H-indazol-6-yl)amine Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)NC3=CC4=NNC(=C4C=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)NC3=CC4=NNC(=C4C=C3)C

InChI

InChI=1S/C21H22N6O3S/c1-4-31(28,29)15-6-8-19(30-3)18(12-15)24-21-22-10-9-20(25-21)23-14-5-7-16-13(2)26-27-17(16)11-14/h5-12H,4H2,1-3H3,(H,26,27)(H2,22,23,24,25)