5-bromanyl-N4-(4-butan-2-ylphenyl)-N2-(1H-indazol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-(4-butan-2-ylphenyl)-N2-(1H-indazol-5-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-(1H-indazol-5-yl)-N4-(4-sec-butylphenyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(4-butan-2-ylphenyl)-N2-(1H-indazol-5-yl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-(4-butan-2-ylphenyl)-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]-(4-sec-butylphenyl)amine Formula: C21H21BrN6 MolecularWeight: 437.33564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)NN=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C21H21BrN6/c1-3-13(2)14-4-6-16(7-5-14)25-20-18(22)12-23-21(27-20)26-17-8-9-19-15(10-17)11-24-28-19/h4-13H,3H2,1-2H3,(H,24,28)(H2,23,25,26,27)