2,2-bis(2-nitrophenyl)ethyl N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]carbamate

Systemtic Name: 2,2-bis(2-nitrophenyl)ethyl N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]carbamate Openeye Name: 2,2-bis(2-nitrophenyl)ethyl N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]carbamate CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]carbamic acid 2,2-bis(2-nitrophenyl)ethyl ester IUPAC Name: 2,2-bis(2-nitrophenyl)ethyl N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamate Traditional Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]carbamic acid 2,2-bis(2-nitrophenyl)ethyl ester Formula: C25H23N7O9 MolecularWeight: 565.49162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)OCC(C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5[N+](=O)[O-])CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)OCC(C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5[N+](=O)[O-])CO)O

InChI

InChI=1S/C25H23N7O9/c33-10-20-19(34)9-21(41-20)30-13-28-22-23(26-12-27-24(22)30)29-25(35)40-11-16(14-5-1-3-7-17(14)31(36)37)15-6-2-4-8-18(15)32(38)39/h1-8,12-13,16,19-21,33-34H,9-11H2,(H,26,27,29,35)/t19-,20+,21+/m0/s1