N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propoxy]pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propoxy]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[3-(4-pyridylmethylsulfanyl)propoxy]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[3-(pyridin-4-ylmethylthio)propoxy]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propoxy]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[3-(4-pyridylmethylthio)propoxy]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCSCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCSCC4=CC=NC=C4

InChI

InChI=1S/C25H26N4OS/c1-19-24(17-28-22-15-21-5-2-3-6-23(21)29-16-22)27-12-9-25(19)30-13-4-14-31-18-20-7-10-26-11-8-20/h2-3,5-12,15-16,28H,4,13-14,17-18H2,1H3