methyl N,N-dimethyl-N'-(4-oxidanylidenequinazolin-3-yl)carbamimidothioate

Systemtic Name: methyl N,N-dimethyl-N'-(4-oxidanylidenequinazolin-3-yl)carbamimidothioate Openeye Name: 1,1,2-trimethyl-3-(4-oxoquinazolin-3-yl)isothiourea CAS Name: N,N-dimethyl-N'-(4-oxo-3-quinazolinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dimethyl-N'-(4-oxoquinazolin-3-yl)carbamimidothioate Traditional Name: 3-(4-ketoquinazolin-3-yl)-1,1,2-trimethyl-isothiourea Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NN1C=NC2=CC=CC=C2C1=O)SC

Isomeric SMILES

CN(C)/C(=N/N1C=NC2=CC=CC=C2C1=O)/SC

InChI

InChI=1S/C12H14N4OS/c1-15(2)12(18-3)14-16-8-13-10-7-5-4-6-9(10)11(16)17/h4-8H,1-3H3/b14-12-