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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C24H20ClN5O5 MolecularWeight: 493.8991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C24H20ClN5O5/c1-33-20-13-21(34-2)19(12-18(20)25)29-24-22(30(31)32)23(26-14-27-24)28-15-8-10-17(11-9-15)35-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,26,27,28,29)