N-[3-chloranyl-4-(furan-3-ylmethoxy)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride

Systemtic Name: N-[3-chloranyl-4-(furan-3-ylmethoxy)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride Openeye Name: N-[3-chloro-4-(3-furylmethoxy)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: N-[3-chloro-4-(3-furanylmethoxy)phenyl]-6,7-dimethoxy-4-quinazolinamine hydrochloride IUPAC Name: N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine hydrochloride Traditional Name: [3-chloro-4-(3-furfuryloxy)phenyl]-(6,7-dimethoxyquinazolin-4-yl)amine hydrochloride Formula: C21H19Cl2N3O4 MolecularWeight: 448.29926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=COC=C4)Cl)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=COC=C4)Cl)OC.Cl

InChI

InChI=1S/C21H18ClN3O4.ClH/c1-26-19-8-15-17(9-20(19)27-2)23-12-24-21(15)25-14-3-4-18(16(22)7-14)29-11-13-5-6-28-10-13;/h3-10,12H,11H2,1-2H3,(H,23,24,25);1H