N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-keto-3H-purin-2-yl]-4-keto-1H-quinazoline-2-carbothioamide Formula: C19H17N7O6S MolecularWeight: 471.44658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=C(N3)N(C=N4)C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=C(N3)N(C=N4)C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C19H17N7O6S/c27-5-9-11(28)12(29)18(32-9)26-6-20-10-14(26)23-19(24-16(10)31)25-17(33)13-21-8-4-2-1-3-7(8)15(30)22-13/h1-4,6,9,11-12,18,27-29H,5H2,(H,21,22,30)(H2,23,24,25,31,33)