(2-methyl-2-oxidanyl-propyl) 4-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrate hydrochloride

Systemtic Name: (2-methyl-2-oxidanyl-propyl) 4-(4-azanyl-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrate hydrochloride Openeye Name: (2-hydroxy-2-methyl-propyl) 4-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylate hydrate hydrochloride CAS Name: 4-(4-amino-6,7,8-trimethoxy-2-quinazolinyl)-1-piperazinecarboxylic acid (2-hydroxy-2-methylpropyl) ester hydrate hydrochloride IUPAC Name: (2-hydroxy-2-methylpropyl) 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate hydrate hydrochloride Traditional Name: 4-(4-amino-6,7,8-trimethoxy-quinazolin-2-yl)piperazine-1-carboxylic acid (2-hydroxy-2-methyl-propyl) ester hydrate hydrochloride Formula: C20H32ClN5O7 MolecularWeight: 489.95038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O.O.Cl

Isomeric SMILES

CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O.O.Cl

InChI

InChI=1S/C20H29N5O6.ClH.H2O/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5;;/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23);1H;1H2