5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrimidine-2,4-dione Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione Traditional Name: 5-(4-piperonylpiperazine-1-carbonyl)uracil Formula: C17H18N4O5 MolecularWeight: 358.34862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC(=O)NC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC(=O)NC4=O

InChI

InChI=1S/C17H18N4O5/c22-15-12(8-18-17(24)19-15)16(23)21-5-3-20(4-6-21)9-11-1-2-13-14(7-11)26-10-25-13/h1-2,7-8H,3-6,9-10H2,(H2,18,19,22,24)