8-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 8-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 8-(1,3-benzodioxol-5-yl)-2-thioxo-3,7-dihydropurin-6-one CAS Name: 8-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 8-(1,3-benzodioxol-5-yl)-2-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 8-(1,3-benzodioxol-5-yl)-2-thioxo-3,7-dihydropurin-6-one Formula: C12H8N4O3S MolecularWeight: 288.28192

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(N3)C(=O)NC(=S)N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(N3)C(=O)NC(=S)N4

InChI

InChI=1S/C12H8N4O3S/c17-11-8-10(15-12(20)16-11)14-9(13-8)5-1-2-6-7(3-5)19-4-18-6/h1-3H,4H2,(H3,13,14,15,16,17,20)