methyl 4-[[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]benzoate hydrochloride

Systemtic Name: methyl 4-[[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]benzoate hydrochloride Openeye Name: methyl 4-[[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]benzoate hydrochloride CAS Name: 4-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]methyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methyl]benzoate hydrochloride Traditional Name: 4-[[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]methyl]benzoic acid methyl ester hydrochloride Formula: C23H28ClN5O4 MolecularWeight: 473.95252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC)N)OC.Cl

InChI

InChI=1S/C23H27N5O4.ClH/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-10-8-27(9-11-28)14-15-4-6-16(7-5-15)22(29)32-3;/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,26);1H