2-[(5-methyl-1,2-oxazol-3-yl)sulfanylmethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)sulfanylmethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[(5-methylisoxazol-3-yl)sulfanylmethyl]-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[[(5-methyl-3-isoxazolyl)thio]methyl]-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)sulfanylmethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[[(5-methylisoxazol-3-yl)thio]methyl]-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOC5)O)O

Isomeric SMILES

CC1=CC(=NO1)SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCOC5)O)O

InChI

InChI=1S/C18H22N6O5S/c1-9-4-12(23-29-9)30-6-11-14(25)15(26)18(28-11)24-8-21-13-16(19-7-20-17(13)24)22-10-2-3-27-5-10/h4,7-8,10-11,14-15,18,25-26H,2-3,5-6H2,1H3,(H,19,20,22)