8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C22H32N6O5 MolecularWeight: 460.52668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O5/c1-5-27(6-2)12-11-23-21-24-19-18(20(30)25-22(31)26(19)3)28(21)13-15(29)14-33-17-9-7-16(32-4)8-10-17/h7-10,15,29H,5-6,11-14H2,1-4H3,(H,23,24)(H,25,30,31)/t15-/m0/s1