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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C19H17ClFN5O4 MolecularWeight: 433.820783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H17ClFN5O4/c1-29-15-8-16(30-2)14(7-13(15)20)25-19-17(26(27)28)18(23-10-24-19)22-9-11-3-5-12(21)6-4-11/h3-8,10H,9H2,1-2H3,(H2,22,23,24,25)