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

Systemtic Name: 5-nitro-N-(3-nitrophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-nitrophenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5-nitro-N-(3-nitrophenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-(3-nitrophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C19H18N8O4 MolecularWeight: 422.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N8O4/c28-26(29)15-5-3-4-14(12-15)23-18-17(27(30)31)19(22-13-21-18)25-10-8-24(9-11-25)16-6-1-2-7-20-16/h1-7,12-13H,8-11H2,(H,21,22,23)