7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-diazanyl-3-methyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-diazanyl-3-methyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C15H18ClN6O4+ MolecularWeight: 381.79422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)NN)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)NN)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C15H17ClN6O4/c1-21-12-11(13(24)19-15(21)25)22(14(18-12)20-17)6-9(23)7-26-10-4-2-8(16)3-5-10/h2-5,9,23H,6-7,17H2,1H3,(H2,18,19,20,24,25)/p+1