1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C11H10N2O3S MolecularWeight: 250.2737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)NC1=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(C(=S)NC1=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H10N2O3S/c14-10-3-4-13(11(17)12-10)7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H,12,14,17)