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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(2-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c1-25-14-5-3-2-4-13(14)21-16-15(22(23)24)17(20-10-19-16)26-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,20,21)