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

Systemtic Name: 2,6-dimethyl-5-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]-1H-pyrimidin-4-one Openeye Name: 5-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]-2,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2,6-dimethyl-5-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]-2,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 5-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]-2,6-dimethyl-1H-pyrimidin-4-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-15-21(23(29)25-16(2)24-15)19(28)11-10-18-14-27(13-17-7-4-3-5-8-17)26-22(18)20-9-6-12-30-20/h3-12,14H,13H2,1-2H3,(H,24,25,29)/b11-10+