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

Systemtic Name: ethyl 4-[[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H26N6O6 MolecularWeight: 410.42494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCC3OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H26N6O6/c1-2-27-17(24)22-7-4-12(5-8-22)21-16-14(23(25)26)15(19-11-20-16)18-6-3-13-28-9-10-29-13/h11-13H,2-10H2,1H3,(H2,18,19,20,21)