6-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(3,5-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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