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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C21H29N7O6 MolecularWeight: 475.49826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O6/c1-4-26(5-2)11-10-22-20-23-18-17(19(30)24-21(31)25(18)3)27(20)12-15(29)13-34-16-8-6-14(7-9-16)28(32)33/h6-9,15,29H,4-5,10-13H2,1-3H3,(H,22,23)(H,24,30,31)/t15-/m1/s1