N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C22H18ClN5O4/c1-31-18-11-19(32-2)17(10-15(18)23)27-22-20(28(29)30)21(24-12-25-22)26-16-9-5-7-13-6-3-4-8-14(13)16/h3-12H,1-2H3,(H2,24,25,26,27)