[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 4-(4-nitrophenyl)butanoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 4-(4-nitrophenyl)butanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl] 4-(4-nitrophenyl)butanoate CAS Name: 4-(4-nitrophenyl)butanoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] 4-(4-nitrophenyl)butanoate Traditional Name: 4-(4-nitrophenyl)butyric acid [(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl] ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CCCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OC(=O)CCCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-12-15(9-16(30-12)25-11-24-18-19(21)22-10-23-20(18)25)31-17(27)4-2-3-13-5-7-14(8-6-13)26(28)29/h5-8,10-12,15-16H,2-4,9H2,1H3,(H2,21,22,23)/t12-,15+,16-/m1/s1