N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H13ClFN5O3 MolecularWeight: 389.768223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClFN5O3/c1-27-12-4-2-3-10(7-12)22-16-15(24(25)26)17(21-9-20-16)23-11-5-6-14(19)13(18)8-11/h2-9H,1H3,(H2,20,21,22,23)