8-(3-chloranylbut-2-enylsulfanyl)-3,7-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(3-chloranylbut-2-enylsulfanyl)-3,7-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(3-chlorobut-2-enylsulfanyl)-3,7-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-(3-chlorobut-2-enylthio)-3,7-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(3-chlorobut-2-enylsulfanyl)-3,7-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-(3-chlorobut-2-enylthio)-3,7-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C11H14ClN4O2S+ MolecularWeight: 301.77246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)C)Cl

Isomeric SMILES

CC(=CCSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)C)Cl

InChI

InChI=1S/C11H13ClN4O2S/c1-6(12)4-5-19-11-13-8-7(15(11)2)9(17)14-10(18)16(8)3/h4H,5H2,1-3H3,(H,14,17,18)/p+1