8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC(COC3=CC=CC(=C3)C)O)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C[C@@H](COC3=CC=CC(=C3)C)O)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C22H32N6O4/c1-5-27(6-2)11-10-23-21-24-19-18(20(30)25-22(31)26(19)4)28(21)13-16(29)14-32-17-9-7-8-15(3)12-17/h7-9,12,16,29H,5-6,10-11,13-14H2,1-4H3,(H,23,24)(H,25,30,31)/t16-/m0/s1