(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-14(2,3)19-13(16)21-7-11-17-10-6-8(15)4-5-9(10)12(20)18-11/h4-6H,7H2,1-3H3,(H2,16,19)(H,17,18,20)