N-[[3-methyl-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: N-[[3-methyl-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-(4-pyrimidin-2-ylsulfanylbutoxy)-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[4-(2-pyrimidinylthio)butoxy]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-(4-pyrimidin-2-ylsulfanylbutoxy)pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[4-(2-pyrimidylthio)butoxy]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSC4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSC4=NC=CC=N4

InChI

InChI=1S/C24H25N5OS/c1-18-22(17-28-20-15-19-7-2-3-8-21(19)29-16-20)25-12-9-23(18)30-13-4-5-14-31-24-26-10-6-11-27-24/h2-3,6-12,15-16,28H,4-5,13-14,17H2,1H3