5-chloranyl-N-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-N-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine Openeye Name: 5-chloro-N-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridyl]methyl]pyrimidin-4-amine CAS Name: 5-chloro-N-[[3-methyl-4-[3-(1-piperazinyl)propylthio]-2-pyridinyl]methyl]-4-pyrimidinamine IUPAC Name: 5-chloro-N-[[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine Traditional Name: (5-chloropyrimidin-4-yl)-[[3-methyl-4-(3-piperazinopropylthio)-2-pyridyl]methyl]amine Formula: C18H25ClN6S MolecularWeight: 392.9493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=NC=NC=C2Cl)SCCCN3CCNCC3

Isomeric SMILES

CC1=C(C=CN=C1CNC2=NC=NC=C2Cl)SCCCN3CCNCC3

InChI

InChI=1S/C18H25ClN6S/c1-14-16(12-23-18-15(19)11-21-13-24-18)22-4-3-17(14)26-10-2-7-25-8-5-20-6-9-25/h3-4,11,13,20H,2,5-10,12H2,1H3,(H,21,23,24)