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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-phenoxy-propyl]-6-keto-3-methyl-purin-2-olate Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O4/c1-4-26(5-2)12-11-22-20-23-18-17(19(29)24-21(30)25(18)3)27(20)13-15(28)14-31-16-9-7-6-8-10-16/h6-10,15,28H,4-5,11-14H2,1-3H3,(H,22,23)(H,24,29,30)/t15-/m0/s1