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

Systemtic Name: 6-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-1-piperonyl-2-thioxo-pyrimidin-4-one Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=CC(=O)NC3=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CC(=O)NC3=S)N

InChI

InChI=1S/C12H11N3O3S/c13-10-4-11(16)14-12(19)15(10)5-7-1-2-8-9(3-7)18-6-17-8/h1-4H,5-6,13H2,(H,14,16,19)