8-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[2-(5-chloro-2-thiophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[2-(5-chloro-2-thienyl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H11ClN4O3S2 MolecularWeight: 370.83444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H11ClN4O3S2/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)22-5-6(19)7-3-4-8(14)23-7/h3-4H,5H2,1-2H3,(H,15,16)