(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-ethylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-ethylcarbamimidothioate Openeye Name: 3-ethyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-ethylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-ethylcarbamimidothioate Traditional Name: 3-ethyl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H14N4OS/c1-2-14-12(13)18-7-10-15-9-6-4-3-5-8(9)11(17)16-10/h3-6H,2,7H2,1H3,(H2,13,14)(H,15,16,17)