2,6-dimethyl-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-dimethyl-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrimidin-4-one Openeye Name: 2,6-dimethyl-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrimidin-4-one CAS Name: 2,6-dimethyl-5-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-1H-pyrimidin-4-one IUPAC Name: 2,6-dimethyl-5-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrimidin-4-one Traditional Name: 2,6-dimethyl-5-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]-1H-pyrimidin-4-one Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2/c1-12-17(18(24)21-13(2)20-12)16(23)9-8-14-10-19-22(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,24)/b9-8+