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

Systemtic Name: 8-[2-(5-chloranyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(5-chloro-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[2-(5-chloro-1H-pyrrol-2-yl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(5-chloro-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[2-(5-chloro-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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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(N3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(N3)Cl

InChI

InChI=1S/C13H12ClN5O3S/c1-18-10-9(11(21)19(2)13(18)22)16-12(17-10)23-5-7(20)6-3-4-8(14)15-6/h3-4,15H,5H2,1-2H3,(H,16,17)