1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]azepane

Systemtic Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]azepane Openeye Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]azepane CAS Name: 1-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]azepane IUPAC Name: 1-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]azepane Traditional Name: 1-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]azepane Formula: C20H26N6O2 MolecularWeight: 382.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O2/c27-26(28)18-19(24-10-6-1-2-7-11-24)21-16-22-20(18)25-14-12-23(13-15-25)17-8-4-3-5-9-17/h3-5,8-9,16H,1-2,6-7,10-15H2