N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C20H20FN5O4 MolecularWeight: 413.402303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3F)OC

InChI

InChI=1S/C20H20FN5O4/c1-29-16-8-7-13(11-17(16)30-2)9-10-22-19-18(26(27)28)20(24-12-23-19)25-15-6-4-3-5-14(15)21/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,24,25)