9-[(2R,3R,4S)-3,4-bis[(2-nitrophenyl)methoxymethyl]oxetan-2-yl]purin-6-amine

Systemtic Name: 9-[(2R,3R,4S)-3,4-bis[(2-nitrophenyl)methoxymethyl]oxetan-2-yl]purin-6-amine Openeye Name: 9-[(2R,3R,4S)-3,4-bis[(2-nitrophenyl)methoxymethyl]oxetan-2-yl]purin-6-amine CAS Name: 9-[(2R,3R,4S)-3,4-bis[(2-nitrophenyl)methoxymethyl]-2-oxetanyl]-6-purinamine IUPAC Name: 9-[(2R,3R,4S)-3,4-bis[(2-nitrophenyl)methoxymethyl]oxetan-2-yl]purin-6-amine Traditional Name: [9-[(2R,3R,4S)-3,4-bis[(2-nitrobenzyl)oxymethyl]oxetan-2-yl]purin-6-yl]amine Formula: C24H23N7O7 MolecularWeight: 521.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCC2C(OC2N3C=NC4=C3N=CN=C4N)COCC5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC[C@@H]2[C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)COCC5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O7/c25-22-21-23(27-13-26-22)29(14-28-21)24-17(11-36-9-15-5-1-3-7-18(15)30(32)33)20(38-24)12-37-10-16-6-2-4-8-19(16)31(34)35/h1-8,13-14,17,20,24H,9-12H2,(H2,25,26,27)/t17-,20-,24-/m1/s1