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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N,N'-dimethylcarbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N,N'-dimethylcarbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-isothiourea Formula: C12H13ClN4OS MolecularWeight: 296.77582

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CNC(=NC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4OS/c1-14-12(15-2)19-6-10-16-9-5-7(13)3-4-8(9)11(18)17-10/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17,18)