2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-methyl-2-piperonyl-1H-pyrimidin-6-one Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(NC1=O)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC1=C(N=C(NC1=O)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C13H12N2O4/c1-7-12(16)14-11(15-13(7)17)5-8-2-3-9-10(4-8)19-6-18-9/h2-4H,5-6H2,1H3,(H2,14,15,16,17)