4-chloranyl-N-hexyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine

Systemtic Name: 4-chloranyl-N-hexyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine Openeye Name: 4-chloro-N-hexyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine CAS Name: 4-chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine IUPAC Name: 4-chloro-N-hexyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine Traditional Name: [4-chloro-6-(4-methylpiperazino)-5-(methylthio)pyrimidin-2-yl]-hexyl-amine Formula: C16H28ClN5S MolecularWeight: 357.94502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

Isomeric SMILES

CCCCCCNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C

InChI

InChI=1S/C16H28ClN5S/c1-4-5-6-7-8-18-16-19-14(17)13(23-3)15(20-16)22-11-9-21(2)10-12-22/h4-12H2,1-3H3,(H,18,19,20)