5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-(3-methoxypropyl)-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-(3-methoxypropyl)-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione CAS Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione Traditional Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-quinone Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C(=O)NC1=O)C(=O)C=CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COCCCN1C(=C(C(=O)NC1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H18N2O7/c1-25-8-2-7-20-17(23)15(16(22)19-18(20)24)12(21)5-3-11-4-6-13-14(9-11)27-10-26-13/h3-6,9,23H,2,7-8,10H2,1H3,(H,19,22,24)/b5-3+