4-[5-(6-aminopurin-9-yl)-2-[(2-nitrophenyl)methoxymethyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-aminopurin-9-yl)-2-[(2-nitrophenyl)methoxymethyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-aminopurin-9-yl)-2-[(2-nitrophenyl)methoxymethyl]tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[5-(6-aminopurin-9-yl)-2-[(2-nitrophenyl)methoxymethyl]-3-oxolanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-aminopurin-9-yl)-2-[(2-nitrophenyl)methoxymethyl]oxolan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[5-adenin-9-yl-2-[(2-nitrobenzyl)oxymethyl]tetrahydrofuran-3-yl]oxy-4-keto-butyric acid Formula: C21H22N6O8 MolecularWeight: 486.43478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4[N+](=O)[O-])OC(=O)CCC(=O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4[N+](=O)[O-])OC(=O)CCC(=O)O

InChI

InChI=1S/C21H22N6O8/c22-20-19-21(24-10-23-20)26(11-25-19)16-7-14(35-18(30)6-5-17(28)29)15(34-16)9-33-8-12-3-1-2-4-13(12)27(31)32/h1-4,10-11,14-16H,5-9H2,(H,28,29)(H2,22,23,24)