2-azanyl-9-[5-[(4-nitrophenyl)methoxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione

Systemtic Name: 2-azanyl-9-[5-[(4-nitrophenyl)methoxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione Openeye Name: 2-amino-9-[3,4-dihydroxy-5-[(4-nitrophenyl)methoxymethyl]tetrahydrofuran-2-yl]-3H-purine-6-thione CAS Name: 2-amino-9-[3,4-dihydroxy-5-[(4-nitrophenyl)methoxymethyl]-2-oxolanyl]-3H-purine-6-thione IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-[(4-nitrophenyl)methoxymethyl]oxolan-2-yl]-3H-purine-6-thione Traditional Name: 2-amino-9-[3,4-dihydroxy-5-[(4-nitrobenzyl)oxymethyl]tetrahydrofuran-2-yl]-3H-purine-6-thione Formula: C17H18N6O6S MolecularWeight: 434.42642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6S/c18-17-20-14-11(15(30)21-17)19-7-22(14)16-13(25)12(24)10(29-16)6-28-5-8-1-3-9(4-2-8)23(26)27/h1-4,7,10,12-13,16,24-25H,5-6H2,(H3,18,20,21,30)