6-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-2-isopropyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-2-isopropyl-1H-pyrimidin-4-one Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC(=O)N=C(N2)C(C)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC(=O)N=C(N2)C(C)C)OCC#C

InChI

InChI=1S/C20H22N2O3/c1-5-11-25-17-10-8-15(12-18(17)24-6-2)7-9-16-13-19(23)22-20(21-16)14(3)4/h1,7-10,12-14H,6,11H2,2-4H3,(H,21,22,23)/b9-7+