6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 5-nitro-N-[2-(1-piperidyl)ethyl]-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C18H23N5O2S MolecularWeight: 373.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

InChI

InChI=1S/C18H23N5O2S/c1-14-5-7-15(8-6-14)26-18-16(23(24)25)17(20-13-21-18)19-9-12-22-10-3-2-4-11-22/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,21)