N-[6-(4-methylperoxysulfanylpiperazin-1-yl)-2-(2-methylphenyl)pyrimidin-4-yl]-1H-indazol-3-amine

Systemtic Name: N-[6-(4-methylperoxysulfanylpiperazin-1-yl)-2-(2-methylphenyl)pyrimidin-4-yl]-1H-indazol-3-amine Openeye Name: N-[6-(4-methylperoxysulfanylpiperazin-1-yl)-2-(o-tolyl)pyrimidin-4-yl]-1H-indazol-3-amine CAS Name: 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)-4-pyrimidinyl]-1-piperazinesulfenic acid methoxy ester IUPAC Name: N-[6-(4-methylperoxysulfanylpiperazin-1-yl)-2-(2-methylphenyl)pyrimidin-4-yl]-1H-indazol-3-amine Traditional Name: 1H-indazol-3-yl-[6-[4-(methylperoxythio)piperazino]-2-(o-tolyl)pyrimidin-4-yl]amine Formula: C23H25N7O2S MolecularWeight: 463.5553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)N5CCN(CC5)SOOC

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)N5CCN(CC5)SOOC

InChI

InChI=1S/C23H25N7O2S/c1-16-7-3-4-8-17(16)22-24-20(25-23-18-9-5-6-10-19(18)27-28-23)15-21(26-22)29-11-13-30(14-12-29)33-32-31-2/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)