9-[5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]purine-6-carbothioamide

Systemtic Name: 9-[5-(hydroxymethyl)-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]purine-6-carbothioamide Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purine-6-carbothioamide CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-6-purinecarbothioamide IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purine-6-carbothioamide Traditional Name: 9-(3,4-dihydroxy-3-methyl-5-methylol-tetrahydrofuran-2-yl)purine-6-carbothioamide Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)C(=S)N)CO)O)O

Isomeric SMILES

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)C(=S)N)CO)O)O

InChI

InChI=1S/C12H15N5O4S/c1-12(20)8(19)5(2-18)21-11(12)17-4-16-7-6(9(13)22)14-3-15-10(7)17/h3-5,8,11,18-20H,2H2,1H3,(H2,13,22)