N-[(2-ethoxyphenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-ethoxyphenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-ethoxyphenyl)methyl]-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-ethoxybenzyl)-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H25FN6O3 MolecularWeight: 452.481403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H25FN6O3/c1-2-33-20-10-6-3-7-17(20)15-25-22-21(30(31)32)23(27-16-26-22)29-13-11-28(12-14-29)19-9-5-4-8-18(19)24/h3-10,16H,2,11-15H2,1H3,(H,25,26,27)