2-azanyl-9-[(3S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-8-sulfanylidene-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(3S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-8-sulfanylidene-3H-purin-6-one Openeye Name: 2-amino-9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-8-thioxo-3H-purin-6-one CAS Name: 2-amino-9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-8-sulfanylidene-3H-purin-6-one IUPAC Name: 2-amino-9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-8-sulfanylidene-3H-purin-6-one Traditional Name: 2-amino-9-[(3S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-7-methyl-8-thioxo-3H-purin-6-one Formula: C11H15N5O5S MolecularWeight: 329.3323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=NC2=O)N)N(C1=S)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C2=C(NC(=NC2=O)N)N(C1=S)C3[C@H](C(C(O3)CO)O)O

InChI

InChI=1S/C11H15N5O5S/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/h3,5-6,9,17-19H,2H2,1H3,(H3,12,13,14,20)/t3?,5?,6-,9?/m0/s1