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

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 2-(4-nitrophenyl)ethanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic 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] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl] ester Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CC4=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)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-10-13(29-15(25)6-11-2-4-12(5-3-11)24(26)27)7-14(28-10)23-9-22-16-17(19)20-8-21-18(16)23/h2-5,8-10,13-14H,6-7H2,1H3,(H2,19,20,21)/t10-,13+,14-/m1/s1