3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-sulfanyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-sulfanyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-8-sulfanyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-8-mercapto-3-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-8-sulfanyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-8-mercapto-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)S)CC(COC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)S)CC(COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-13(24)10-27-14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13,24H,9-10H2,1H3,(H2,20,21,25,26,28)/p+1