(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl carbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C10H9ClN4OS MolecularWeight: 268.72266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=NC2=O)CSC(=N)N

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=NC2=O)CSC(=N)N

InChI

InChI=1S/C10H9ClN4OS/c11-5-1-2-6-7(3-5)14-8(15-9(6)16)4-17-10(12)13/h1-3H,4H2,(H3,12,13)(H,14,15,16)