N6-[(4-fluorophenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H20FN7O2 MolecularWeight: 361.374103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H20FN7O2/c1-22-6-8-23(9-7-22)21-16-14(24(25)26)15(19-11-20-16)18-10-12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3,(H2,18,19,20,21)