8-(4-chlorophenyl)sulfanyl-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)sulfanyl-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(4-chlorophenyl)sulfanyl-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-[(4-chlorophenyl)thio]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(4-chlorophenyl)sulfanyl-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-[(4-chlorophenyl)thio]-1,3,7-trimethyl-9H-purin-7-ium-2,6-quinone Formula: C14H14ClN4O2S+ MolecularWeight: 337.80456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C14H13ClN4O2S/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-8(15)5-7-9/h4-7H,1-3H3/p+1