8-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H13ClN4O4S MolecularWeight: 380.80612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C15H13ClN4O4S/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)25-5-7-3-9-10(4-8(7)16)24-6-23-9/h3-4H,5-6H2,1-2H3,(H,17,18)