9-[5-[(4-nitrophenyl)methylsulfanylmethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[5-[(4-nitrophenyl)methylsulfanylmethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[3,4-dihydroxy-5-[(4-nitrophenyl)methylsulfanylmethyl]tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-[[(4-nitrophenyl)methylthio]methyl]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-[(4-nitrophenyl)methylsulfanylmethyl]oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[3,4-dihydroxy-5-[[(4-nitrobenzyl)thio]methyl]tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C17H17N5O6S MolecularWeight: 419.41178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C3NC=NC4=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6S/c23-13-11(6-29-5-9-1-3-10(4-2-9)22(26)27)28-17(14(13)24)21-8-20-12-15(21)18-7-19-16(12)25/h1-4,7-8,11,13-14,17,23-24H,5-6H2,(H,18,19,25)