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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CNC(=NC)SCC1=NC(=O)C2=CC=CC=C2N1

InChI

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