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

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

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

Isomeric SMILES

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

InChI

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