N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(2-hydroxy-1,1-dimethylol-ethyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c17-5-13(6-18,7-19)16-12(21)10-14-9-4-2-1-3-8(9)11(20)15-10/h1-4,17-19H,5-7H2,(H,16,21)(H,14,15,20)