N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-ethyl-N-(m-tolyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O2/c1-3-28(18-8-6-7-17(2)15-18)22-20(29(30)31)21(24-16-25-22)27-13-11-26(12-14-27)19-9-4-5-10-23-19/h4-10,15-16H,3,11-14H2,1-2H3