2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]oxolane-2-carbaldehyde dihydrate hydrochloride

Systemtic Name: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]oxolane-2-carbaldehyde dihydrate hydrochloride Openeye Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]tetrahydrofuran-2-carbaldehyde dihydrate hydrochloride CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-oxolanecarboxaldehyde dihydrate hydrochloride IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]oxolane-2-carbaldehyde dihydrate hydrochloride Traditional Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]tetrahydrofuran-2-carbaldehyde dihydrate hydrochloride Formula: C19H30ClN5O6 MolecularWeight: 459.9244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4(CCCO4)C=O)N)OC.O.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4(CCCO4)C=O)N)OC.O.O.Cl

InChI

InChI=1S/C19H25N5O4.ClH.2H2O/c1-26-15-10-13-14(11-16(15)27-2)21-18(22-17(13)20)23-5-7-24(8-6-23)19(12-25)4-3-9-28-19;;;/h10-12H,3-9H2,1-2H3,(H2,20,21,22);1H;2*1H2