[(2S,4S)-4-(6-aminopurin-9-yl)oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,4S)-4-(6-aminopurin-9-yl)oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,4S)-4-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,4S)-4-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,4S)-4-(6-aminopurin-9-yl)oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,4S)-4-adenin-9-yltetrahydrofuran-2-yl]methyl ester Formula: C17H16N6O5 MolecularWeight: 384.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1[C@@H](CO[C@@H]1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H16N6O5/c18-15-14-16(20-8-19-15)22(9-21-14)12-5-13(27-6-12)7-28-17(24)10-1-3-11(4-2-10)23(25)26/h1-4,8-9,12-13H,5-7H2,(H2,18,19,20)/t12-,13-/m0/s1