N-(5-chloranyl-2-methyl-phenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O2S/c1-11-3-7-14(8-4-11)26-18-16(23(24)25)17(20-10-21-18)22-15-9-13(19)6-5-12(15)2/h3-10H,1-2H3,(H,20,21,22)