(E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methyl-pyrimidin-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methyl-pyrimidin-2-yl)but-3-en-2-one Openeye Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methyl-pyrimidin-2-yl)but-3-en-2-one CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methyl-2-pyrimidinyl)-3-buten-2-one IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methylpyrimidin-2-yl)but-3-en-2-one Traditional Name: (E)-4-(1,3-benzodioxol-5-yl)-3-(4,6-dimethoxy-5-methyl-pyrimidin-2-yl)but-3-en-2-one Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1OC)C(=CC2=CC3=C(C=C2)OCO3)C(=O)C)OC

Isomeric SMILES

CC1=C(N=C(N=C1OC)/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C)OC

InChI

InChI=1S/C18H18N2O5/c1-10-17(22-3)19-16(20-18(10)23-4)13(11(2)21)7-12-5-6-14-15(8-12)25-9-24-14/h5-8H,9H2,1-4H3/b13-7-