2,6-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2,6-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2,6-dimethyl-5-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2,6-dimethyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-2,6-dimethyl-1H-pyrimidin-4-one Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-12-16(18(25)20-13(2)19-12)11-17(24)22-9-7-21(8-10-22)14-3-5-15(6-4-14)23(26)27/h3-6H,7-11H2,1-2H3,(H,19,20,25)