2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(thian-4-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(thian-4-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(tetrahydrothiopyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(4-thianylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(thian-4-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[6-(tetrahydrothiopyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C17H21N7O4S MolecularWeight: 419.45814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCSCC5)O)O

Isomeric SMILES

CC1=NOC(=N1)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCSCC5)O)O

InChI

InChI=1S/C17H21N7O4S/c1-8-21-16(28-23-8)13-11(25)12(26)17(27-13)24-7-20-10-14(18-6-19-15(10)24)22-9-2-4-29-5-3-9/h6-7,9,11-13,17,25-26H,2-5H2,1H3,(H,18,19,22)