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

Systemtic Name: 6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-2-carbothialdehyde Openeye Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-2-carbothialdehyde CAS Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinecarbothioaldehyde IUPAC Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbothialdehyde Traditional Name: 6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purine-2-carbothialdehyde Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C=S

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C=S

InChI

InChI=1S/C11H13N5O4S/c12-9-6-10(15-5(2-21)14-9)16(3-13-6)11-8(19)7(18)4(1-17)20-11/h2-4,7-8,11,17-19H,1H2,(H2,12,14,15)