5-bromanyl-N2-(1H-indazol-5-yl)-N4-(3-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-(1H-indazol-5-yl)-N4-(3-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-(1H-indazol-5-yl)-N4-[3-(4-quinolylsulfanyl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-(1H-indazol-5-yl)-N4-[3-(4-quinolinylthio)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(3-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]-[3-(4-quinolylthio)phenyl]amine Formula: C26H18BrN7S MolecularWeight: 540.43702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)SC3=CC=CC(=C3)NC4=NC(=NC=C4Br)NC5=CC6=C(C=C5)NN=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)SC3=CC=CC(=C3)NC4=NC(=NC=C4Br)NC5=CC6=C(C=C5)NN=C6

InChI

InChI=1S/C26H18BrN7S/c27-21-15-29-26(32-18-8-9-22-16(12-18)14-30-34-22)33-25(21)31-17-4-3-5-19(13-17)35-24-10-11-28-23-7-2-1-6-20(23)24/h1-15H,(H,30,34)(H2,29,31,32,33)