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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(2-ethoxyphenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(2-ethoxyphenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(2-ethoxyphenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2-ethoxybenzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C22H25N7O3 MolecularWeight: 435.479

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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=N4

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N7O3/c1-2-32-18-8-4-3-7-17(18)15-24-21-20(29(30)31)22(26-16-25-21)28-13-11-27(12-14-28)19-9-5-6-10-23-19/h3-10,16H,2,11-15H2,1H3,(H,24,25,26)