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

Systemtic Name: 5-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]-1H-pyrimidin-6-one Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-5-nitro-1H-pyrimidin-6-one CAS Name: 5-nitro-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]-1H-pyrimidin-6-one IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethoxy]-5-nitro-1H-pyrimidin-6-one Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c23-15(11-27-18-16(22(25)26)17(24)19-12-20-18)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,20,24)