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

Systemtic Name: 8-(butylamino)-3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-(butylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C19H23N6O6- MolecularWeight: 431.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CCCCNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C19H24N6O6/c1-3-4-9-20-18-21-16-15(17(27)22-19(28)23(16)2)24(18)10-13(26)11-31-14-7-5-12(6-8-14)25(29)30/h5-8,13,26H,3-4,9-11H2,1-2H3,(H,20,21)(H,22,27,28)/p-1/t13-/m1/s1