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

Systemtic Name: 2-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: 2-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)-2-pyridyl]methyl]quinolin-3-amine CAS Name: 2-[[3-methyl-4-[3-(2-pyrimidinylthio)propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: 2-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [2-[[3-methyl-4-[3-(2-pyrimidylthio)propylthio]-2-pyridyl]methyl]-3-quinolyl]amine Formula: C23H23N5S2 MolecularWeight: 433.59222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSC4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSC4=NC=CC=N4

InChI

InChI=1S/C23H23N5S2/c1-16-20(15-21-18(24)14-17-6-2-3-7-19(17)28-21)25-11-8-22(16)29-12-5-13-30-23-26-9-4-10-27-23/h2-4,6-11,14H,5,12-13,15,24H2,1H3