ethyl 1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c1-2-29-20(26)16-9-6-12-24(13-16)19-17(25(27)28)18(22-14-23-19)21-11-10-15-7-4-3-5-8-15/h7,14,16H,2-6,8-13H2,1H3,(H,21,22,23)