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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(23-12-11-18-7-3-1-4-8-18)24-17-25-22(20)27-15-13-26(14-16-27)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24,25)