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

Systemtic Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-butyl-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-butyl-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-butyl-6-hydroxypyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione Traditional Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-1-butyl-6-hydroxy-pyrimidine-2,4-quinone Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)C(=O)C=CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H18N2O6/c1-2-3-8-20-17(23)15(16(22)19-18(20)24)12(21)6-4-11-5-7-13-14(9-11)26-10-25-13/h4-7,9,23H,2-3,8,10H2,1H3,(H,19,22,24)/b6-4+