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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4OS/c1-2-5-16-13(15)20-7-11-17-10-6-8(14)3-4-9(10)12(19)18-11/h2-4,6H,1,5,7H2,(H2,15,16)(H,17,18,19)