(phenylmethyl) 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrochloride Openeye Name: benzyl 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrochloride CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carboxylic acid benzyl ester hydrochloride Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)N)OC.Cl

InChI

InChI=1S/C22H25N5O4.ClH/c1-29-18-12-16-17(13-19(18)30-2)24-21(25-20(16)23)26-8-10-27(11-9-26)22(28)31-14-15-6-4-3-5-7-15;/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,24,25);1H