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

Systemtic Name: N-(3-chloranyl-4-phenylsulfanyl-phenyl)-6,7-dimethoxy-quinazolin-4-amine Openeye Name: N-(3-chloro-4-phenylsulfanyl-phenyl)-6,7-dimethoxy-quinazolin-4-amine CAS Name: N-[3-chloro-4-(phenylthio)phenyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenylsulfanylphenyl)-6,7-dimethoxyquinazolin-4-amine Traditional Name: [3-chloro-4-(phenylthio)phenyl]-(6,7-dimethoxyquinazolin-4-yl)amine Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/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)