N-[8-bromanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[8-bromanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-[8-bromo-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]-4-keto-1H-quinazoline-2-carbothioamide Formula: C19H16BrN7O5S MolecularWeight: 534.34324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NC4=C3N=C(N4C5C(C(C(O5)CO)O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NC4=C3N=C(N4C5C(C(C(O5)CO)O)O)Br

InChI

InChI=1S/C19H16BrN7O5S/c20-19-24-10-13(26-17(33)14-23-8-4-2-1-3-7(8)16(31)25-14)21-6-22-15(10)27(19)18-12(30)11(29)9(5-28)32-18/h1-4,6,9,11-12,18,28-30H,5H2,(H,23,25,31)(H,21,22,26,33)