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

Systemtic Name: N-methyl-5-nitro-N-phenethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-methyl-5-nitro-N-phenethyl-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-phenethyl-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-methyl-5-nitro-N-phenethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-phenethyl-amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N7O2/c1-26(12-10-18-7-3-2-4-8-18)21-20(29(30)31)22(25-17-24-21)28-15-13-27(14-16-28)19-9-5-6-11-23-19/h2-9,11,17H,10,12-16H2,1H3