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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4/c1-27-14-9-15(28-2)13(8-12(14)19)23-18-16(24(25)26)17(20-10-21-18)22-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,20,21,22,23)