7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)-9H-purin-7-ium-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-hydroxypropylamino)-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C17H21ClN5O3+ MolecularWeight: 378.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[N+](C2=C(N1)N(C(=O)N(C2=O)C)C)CC3=CC=CC=C3Cl)O

Isomeric SMILES

CC(CNC1=[N+](C2=C(N1)N(C(=O)N(C2=O)C)C)CC3=CC=CC=C3Cl)O

InChI

InChI=1S/C17H20ClN5O3/c1-10(24)8-19-16-20-14-13(15(25)22(3)17(26)21(14)2)23(16)9-11-6-4-5-7-12(11)18/h4-7,10,24H,8-9H2,1-3H3,(H,19,20,25)/p+1