2-(6-aminopurin-9-yl)-5-[4-(1H-indol-3-yl)butylsulfanylmethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[4-(1H-indol-3-yl)butylsulfanylmethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[4-(1H-indol-3-yl)butylsulfanylmethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[4-(1H-indol-3-yl)butylthio]methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[4-(1H-indol-3-yl)butylsulfanylmethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[4-(1H-indol-3-yl)butylthio]methyl]tetrahydrofuran-3,4-diol Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCCSCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCCSCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C22H26N6O3S/c23-20-17-21(26-11-25-20)28(12-27-17)22-19(30)18(29)16(31-22)10-32-8-4-3-5-13-9-24-15-7-2-1-6-14(13)15/h1-2,6-7,9,11-12,16,18-19,22,24,29-30H,3-5,8,10H2,(H2,23,25,26)