6-[3-[[(2,6-dimethoxyphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine

Systemtic Name: 6-[3-[[(2,6-dimethoxyphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine Openeye Name: 6-[3-[[(2,6-dimethoxyphenyl)methylamino]methyl]phenyl]sulfanyl-3-(tetrahydropyran-4-ylmethyl)quinolin-2-amine CAS Name: 6-[[3-[[(2,6-dimethoxyphenyl)methylamino]methyl]phenyl]thio]-3-(4-oxanylmethyl)-2-quinolinamine IUPAC Name: 6-[3-[[(2,6-dimethoxyphenyl)methylamino]methyl]phenyl]sulfanyl-3-(oxan-4-ylmethyl)quinolin-2-amine Traditional Name: [3-[[2-amino-3-(tetrahydropyran-4-ylmethyl)-6-quinolyl]thio]benzyl]-(2,6-dimethoxybenzyl)amine Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CNCC2=CC(=CC=C2)SC3=CC4=CC(=C(N=C4C=C3)N)CC5CCOCC5

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CNCC2=CC(=CC=C2)SC3=CC4=CC(=C(N=C4C=C3)N)CC5CCOCC5

InChI

InChI=1S/C31H35N3O3S/c1-35-29-7-4-8-30(36-2)27(29)20-33-19-22-5-3-6-25(16-22)38-26-9-10-28-23(18-26)17-24(31(32)34-28)15-21-11-13-37-14-12-21/h3-10,16-18,21,33H,11-15,19-20H2,1-2H3,(H2,32,34)