ethyl 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H28N6O5 MolecularWeight: 408.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C18H28N6O5/c1-2-29-18(26)14-3-5-22(6-4-14)16-15(24(27)28)17(20-13-19-16)23-9-7-21(8-10-23)11-12-25/h13-14,25H,2-12H2,1H3