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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C18H14Cl2N4O4S MolecularWeight: 453.29916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N4O4S/c1-27-14-8-15(28-2)13(7-12(14)20)23-17-16(24(25)26)18(22-9-21-17)29-11-5-3-10(19)4-6-11/h3-9H,1-2H3,(H,21,22,23)