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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C18H17ClN8O2 MolecularWeight: 412.83298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN8O2/c19-16-13(4-3-7-21-16)24-17-15(27(28)29)18(23-12-22-17)26-10-8-25(9-11-26)14-5-1-2-6-20-14/h1-7,12H,8-11H2,(H,22,23,24)