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

Systemtic Name: 5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-bis(oxidanyl)oxolane-2-carbothioamide Openeye Name: 5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carbothioamide CAS Name: 5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxy-2-oxolanecarbothioamide IUPAC Name: 5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carbothioamide Traditional Name: 5-adenin-9-yl-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carbothioamide Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1CC1NC(=S)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C13H16N6O3S/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(22-13)12(23)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,23)(H2,14,15,16)