1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-yl-phenoxy)propan-1-one hydrochloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-yl-phenoxy)propan-1-one hydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-isopropyl-6-methoxy-phenoxy)propan-1-one hydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-(2-methoxy-6-propan-2-ylphenoxy)-1-propanone hydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-ylphenoxy)propan-1-one hydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-(2-isopropyl-6-methoxy-phenoxy)propan-1-one hydrochloride Formula: C27H36ClN5O5 MolecularWeight: 546.05824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)OC)OC(C)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)OC)OC(C)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl

InChI

InChI=1S/C27H35N5O5.ClH/c1-16(2)18-8-7-9-21(34-4)24(18)37-17(3)26(33)31-10-12-32(13-11-31)27-29-20-15-23(36-6)22(35-5)14-19(20)25(28)30-27;/h7-9,14-17H,10-13H2,1-6H3,(H2,28,29,30);1H