N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(4-methylsulfinylphenyl)quinolin-4-amine

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(4-methylsulfinylphenyl)quinolin-4-amine Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(4-methylsulfinylphenyl)quinolin-4-amine CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-6-(4-methylsulfinylphenyl)-4-quinolinamine IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(4-methylsulfinylphenyl)quinolin-4-amine Traditional Name: [4-(4-methylpiperazino)phenyl]-[6-(4-methylsulfinylphenyl)-4-quinolyl]amine Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=C(C=C5)S(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=C(C=C5)S(=O)C

InChI

InChI=1S/C27H28N4OS/c1-30-15-17-31(18-16-30)23-8-6-22(7-9-23)29-27-13-14-28-26-12-5-21(19-25(26)27)20-3-10-24(11-4-20)33(2)32/h3-14,19H,15-18H2,1-2H3,(H,28,29)