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

Systemtic Name: N4-(4-butoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O3/c1-2-3-12-30-18-10-8-17(9-11-18)26-21-19(27(28)29)20(24-14-25-21)23-13-15-4-6-16(22)7-5-15/h4-11,14H,2-3,12-13H2,1H3,(H2,23,24,25,26)