3-(oxan-4-ylmethyl)-6-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfanyl-quinolin-2-amine

Systemtic Name: 3-(oxan-4-ylmethyl)-6-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfanyl-quinolin-2-amine Openeye Name: 6-[3-[(2-pyridylmethylamino)methyl]phenyl]sulfanyl-3-(tetrahydropyran-4-ylmethyl)quinolin-2-amine CAS Name: 3-(4-oxanylmethyl)-6-[[3-[(2-pyridinylmethylamino)methyl]phenyl]thio]-2-quinolinamine IUPAC Name: 3-(oxan-4-ylmethyl)-6-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]sulfanylquinolin-2-amine Traditional Name: [3-[[2-amino-3-(tetrahydropyran-4-ylmethyl)-6-quinolyl]thio]benzyl]-(2-pyridylmethyl)amine Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=C(N=C3C=CC(=CC3=C2)SC4=CC=CC(=C4)CNCC5=CC=CC=N5)N

Isomeric SMILES

C1COCCC1CC2=C(N=C3C=CC(=CC3=C2)SC4=CC=CC(=C4)CNCC5=CC=CC=N5)N

InChI

InChI=1S/C28H30N4OS/c29-28-23(14-20-9-12-33-13-10-20)16-22-17-26(7-8-27(22)32-28)34-25-6-3-4-21(15-25)18-30-19-24-5-1-2-11-31-24/h1-8,11,15-17,20,30H,9-10,12-14,18-19H2,(H2,29,32)