2-[2-azanyl-6,8-bis[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-azanyl-6,8-bis[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-amino-6,8-bis[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6,8-bis[(4-nitrophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6,8-bis[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-amino-6,8-bis[(4-nitrobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C24H23N7O8S2 MolecularWeight: 601.61152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)SCC5=CC=C(C=C5)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)SCC5=CC=C(C=C5)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O8S2/c25-23-27-20-17(21(28-23)40-10-12-1-5-14(6-2-12)30(35)36)26-24(29(20)22-19(34)18(33)16(9-32)39-22)41-11-13-3-7-15(8-4-13)31(37)38/h1-8,16,18-19,22,32-34H,9-11H2,(H2,25,27,28)