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

Systemtic Name: N4-(2,4-dimethoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C19H18FN5O4 MolecularWeight: 399.375723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18FN5O4/c1-28-14-7-8-15(16(9-14)29-2)24-19-17(25(26)27)18(22-11-23-19)21-10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)