4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one; ethanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-ethanoyl-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one; ethanoic acid Openeye Name: acetic acid; 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one CAS Name: acetic acid; 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one IUPAC Name: acetic acid; 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one Traditional Name: acetic acid; 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.CC(=O)O

Isomeric SMILES

CC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.CC(=O)O

InChI

InChI=1S/C19H16N2O4.C2H4O2/c1-11(22)16-17(12-5-3-2-4-6-12)20-19(23)21-18(16)13-7-8-14-15(9-13)25-10-24-14;1-2(3)4/h2-9,18H,10H2,1H3,(H2,20,21,23);1H3,(H,3,4)