N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)-1H-quinazoline-2-carbothioamide Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3C(C(C(OC3O)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3C(C(C(OC3O)CO)O)O

InChI

InChI=1S/C15H17N3O6S/c19-5-8-10(20)11(21)9(15(23)24-8)17-14(25)12-16-7-4-2-1-3-6(7)13(22)18-12/h1-4,8-11,15,19-21,23H,5H2,(H,17,25)(H,16,18,22)