2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrimidin-4-one Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3/c1-11-17-15(14(20(22)23)16(21)18-11)19-9-7-13(8-10-19)12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,17,18,21)