2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1-octyl-pyrimidine-4,6-dione

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1-octyl-pyrimidine-4,6-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-1-octyl-pyrimidine-4,6-dione CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-1-octylpyrimidine-4,6-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1-octylpyrimidine-4,6-dione Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-1-octyl-pyrimidine-4,6-quinone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O5S/c1-2-3-4-5-6-7-10-23-20(26)12-19(25)22-21(23)29-13-16(24)15-8-9-17-18(11-15)28-14-27-17/h8-9,11H,2-7,10,12-14H2,1H3