5-(6-aminopurin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carbothioamide

Systemtic Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carbothioamide Openeye Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carbothioamide CAS Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarbothioamide IUPAC Name: 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carbothioamide Traditional Name: 5-adenin-9-yl-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carbothioamide Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCNC(=S)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C12H16N6O3S/c1-2-14-11(22)8-6(19)7(20)12(21-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,22)(H2,13,15,16)