2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-8-sulfanyl-3,8-dihydropurin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-8-sulfanyl-3,8-dihydropurin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-8-sulfanyl-3,8-dihydropurin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-mercapto-7-methyl-3,8-dihydropurin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-8-sulfanyl-3,8-dihydropurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-mercapto-7-methyl-3,8-dihydropurin-6-one Formula: C11H17N5O5S MolecularWeight: 331.34818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O)S

Isomeric SMILES

CN1C(N(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O)S

InChI

InChI=1S/C11H17N5O5S/c1-15-4-7(13-10(12)14-8(4)20)16(11(15)22)9-6(19)5(18)3(2-17)21-9/h3,5-6,9,11,17-19,22H,2H2,1H3,(H3,12,13,14,20)