7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H16N4O4S/c1-18-13-12(14(21)19(2)16(18)22)20(15(25)17-13)8-9-3-4-10-11(7-9)24-6-5-23-10/h3-4,7H,5-6,8H2,1-2H3,(H,17,25)