N-(3-chloranyl-4-fluoranyl-phenyl)-6-isothiocyanato-7-methoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-isothiocyanato-7-methoxy-quinazolin-4-amine hydrochloride Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-isothiocyanato-7-methoxy-quinazolin-4-amine hydrochloride CAS Name: N-(3-chloro-4-fluorophenyl)-6-isothiocyanato-7-methoxy-4-quinazolinamine hydrochloride IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-isothiocyanato-7-methoxyquinazolin-4-amine hydrochloride Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-isothiocyanato-7-methoxy-quinazolin-4-yl)amine hydrochloride Formula: C16H11Cl2FN4OS MolecularWeight: 397.254143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)N=C=S.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)N=C=S.Cl

InChI

InChI=1S/C16H10ClFN4OS.ClH/c1-23-15-6-13-10(5-14(15)21-8-24)16(20-7-19-13)22-9-2-3-12(18)11(17)4-9;/h2-7H,1H3,(H,19,20,22);1H