1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(2-methyl-2-oxidanyl-propyl)piperidine-4-carboxamide hydrate hydrochloride

Systemtic Name: 1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(2-methyl-2-oxidanyl-propyl)piperidine-4-carboxamide hydrate hydrochloride Openeye Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(2-hydroxy-2-methyl-propyl)piperidine-4-carboxamide hydrate hydrochloride CAS Name: 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(2-hydroxy-2-methylpropyl)-4-piperidinecarboxamide hydrate hydrochloride IUPAC Name: 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide hydrate hydrochloride Traditional Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(2-hydroxy-2-methyl-propyl)isonipecotamide hydrate hydrochloride Formula: C20H32ClN5O5 MolecularWeight: 457.95158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)O.O.Cl

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)O.O.Cl

InChI

InChI=1S/C20H29N5O4.ClH.H2O/c1-20(2,27)11-22-18(26)12-5-7-25(8-6-12)19-23-14-10-16(29-4)15(28-3)9-13(14)17(21)24-19;;/h9-10,12,27H,5-8,11H2,1-4H3,(H,22,26)(H2,21,23,24);1H;1H2