2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl)-3H-purin-6-one Formula: C10H13N5O4S MolecularWeight: 299.30632

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(S3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(S3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)