2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-(4-nitrobenzyl)-1H-pyrimidin-4-one Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N5O3/c1-10-8-11(2)21(20-10)17-18-12(3)15(16(23)19-17)9-13-4-6-14(7-5-13)22(24)25/h4-8H,9H2,1-3H3,(H,18,19,23)