N-(3-chloranyl-4-phenylsulfanyl-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-(3-chloranyl-4-phenylsulfanyl-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: N-(3-chloro-4-phenylsulfanyl-phenyl)-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: N-[3-chloro-4-(phenylthio)phenyl]-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-(3-chloro-4-phenylsulfanylphenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: [3-chloro-4-(phenylthio)phenyl]-(6,7-dimethoxyquinazolin-4-yl)amine hydrochloride Formula: C22H19Cl2N3O2S MolecularWeight: 460.37616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)OC.Cl

InChI

InChI=1S/C22H18ClN3O2S.ClH/c1-27-19-11-16-18(12-20(19)28-2)24-13-25-22(16)26-14-8-9-21(17(23)10-14)29-15-6-4-3-5-7-15;/h3-13H,1-2H3,(H,24,25,26);1H