2-(ethylsulfanylmethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(ethylsulfanylmethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(ethylsulfanylmethyl)-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[(ethylthio)methyl]-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(ethylsulfanylmethyl)-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[(ethylthio)methyl]-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

Isomeric SMILES

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

InChI

InChI=1S/C16H23N5O4S/c1-2-26-6-10-12(22)13(23)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-3-4-24-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)