2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-carbothialdehyde

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purine-8-carbothialdehyde Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purine-8-carbothialdehyde CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purine-8-carbothioaldehyde IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purine-8-carbothialdehyde Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-3H-purine-8-carbothialdehyde Formula: C11H13N5O5S MolecularWeight: 327.31642

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C(=NC3=C2NC(=NC3=O)N)C=S)O)O)O

Isomeric SMILES

C(C1C(C(C(O1)N2C(=NC3=C2NC(=NC3=O)N)C=S)O)O)O

InChI

InChI=1S/C11H13N5O5S/c12-11-14-8-5(9(20)15-11)13-4(2-22)16(8)10-7(19)6(18)3(1-17)21-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20)