7-[3-[(3-chlorophenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[3-[(3-chlorophenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[3-(3-chloroanilino)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[3-(3-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[3-(3-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[3-(3-chloroanilino)-2-hydroxy-propyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C16H19ClN5O3+ MolecularWeight: 364.80676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(CNC3=CC(=CC=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(CNC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C16H18ClN5O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-19-14)8-12(23)7-18-11-5-3-4-10(17)6-11/h3-6,9,12,18,23H,7-8H2,1-2H3/p+1