7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione Openeye Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione CAS Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-dione Traditional Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)-9H-purin-7-ium-2,6-quinone Formula: C16H18Cl2N5O4+ MolecularWeight: 415.25122

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(COC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CNC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(COC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C16H17Cl2N5O4/c1-19-15-20-13-12(14(25)21-16(26)22(13)2)23(15)6-9(24)7-27-11-4-3-8(17)5-10(11)18/h3-5,9,24H,6-7H2,1-2H3,(H2,19,20,21,25,26)/p+1