5-nitro-N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-(1-phenylethyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2/c1-17(18-8-4-2-5-9-18)25-21-20(28(29)30)22(24-16-23-21)27-14-12-26(13-15-27)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,23,24,25)