5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-piperonyl-2-thioxo-1H-pyrimidin-4-one Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CNC(=S)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CNC(=S)NC3=O

InChI

InChI=1S/C12H10N2O3S/c15-11-8(5-13-12(18)14-11)3-7-1-2-9-10(4-7)17-6-16-9/h1-2,4-5H,3,6H2,(H2,13,14,15,18)