N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-ethyl-N-(m-tolyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c1-3-28(20-11-7-8-18(2)16-20)23-21(29(30)31)22(24-17-25-23)27-14-12-26(13-15-27)19-9-5-4-6-10-19/h4-11,16-17H,3,12-15H2,1-2H3