N4,N6-bis(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C20H19Cl2N5O6 MolecularWeight: 496.30076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C20H19Cl2N5O6/c1-30-14-7-16(32-3)12(5-10(14)21)25-19-18(27(28)29)20(24-9-23-19)26-13-6-11(22)15(31-2)8-17(13)33-4/h5-9H,1-4H3,(H2,23,24,25,26)