2-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: 2-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: 2-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridyl]methyl]quinolin-3-amine CAS Name: 2-[[3-methyl-4-[3-(1-piperazinyl)propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: 2-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [2-[[3-methyl-4-(3-piperazinopropylthio)-2-pyridyl]methyl]-3-quinolyl]amine Formula: C23H29N5S MolecularWeight: 407.57486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCN4CCNCC4

Isomeric SMILES

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCN4CCNCC4

InChI

InChI=1S/C23H29N5S/c1-17-21(16-22-19(24)15-18-5-2-3-6-20(18)27-22)26-8-7-23(17)29-14-4-11-28-12-9-25-10-13-28/h2-3,5-8,15,25H,4,9-14,16,24H2,1H3