ethyl 2-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(5-nitro-6-piperidino-pyrimidin-4-yl)piperazino]acetic acid ethyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H26N6O4/c1-2-27-14(24)12-20-8-10-22(11-9-20)17-15(23(25)26)16(18-13-19-17)21-6-4-3-5-7-21/h13H,2-12H2,1H3