2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=O)C4=C(N3)N=CN4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=O)C4=C(N3)N=CN4

InChI

InChI=1S/C15H12N4O4S/c20-9(8-1-2-10-11(5-8)23-4-3-22-10)6-24-15-18-13-12(14(21)19-15)16-7-17-13/h1-2,5,7H,3-4,6H2,(H2,16,17,18,19,21)