4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-nitro-1H-pyrimidin-6-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-5-nitro-1H-pyrimidin-6-one Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C(=O)NC=N2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C(=O)NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c17-9(15-5-3-1-2-4-6-15)7-21-12-10(16(19)20)11(18)13-8-14-12/h8H,1-7H2,(H,13,14,18)