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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-11-4-6-12(7-5-11)29-19-17(24(25)26)18(21-10-22-19)23-14-8-13(20)15(27-2)9-16(14)28-3/h4-10H,1-3H3,(H,21,22,23)