N-(2-chloranylpyridin-3-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C16H12ClN5O2S MolecularWeight: 373.81678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H12ClN5O2S/c1-10-4-6-11(7-5-10)25-16-13(22(23)24)15(19-9-20-16)21-12-3-2-8-18-14(12)17/h2-9H,1H3,(H,19,20,21)