6-(4-chlorophenyl)sulfanyl-N-(2-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(2-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(o-tolyl)pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(2-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(2-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H13ClN4O2S MolecularWeight: 372.82872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O2S/c1-11-4-2-3-5-14(11)21-16-15(22(23)24)17(20-10-19-16)25-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20,21)