2-methyl-5-nitro-6-(4-oxidanyl-4-phenyl-piperidin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(4-oxidanyl-4-phenyl-piperidin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(4-hydroxy-4-phenyl-1-piperidyl)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(4-hydroxy-4-phenyl-1-piperidinyl)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(4-hydroxy-4-phenylpiperidin-1-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(4-hydroxy-4-phenyl-piperidino)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC(CC2)(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC(CC2)(C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-11-17-14(13(20(23)24)15(21)18-11)19-9-7-16(22,8-10-19)12-5-3-2-4-6-12/h2-6,22H,7-10H2,1H3,(H,17,18,21)