1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidine-4-carboxylic acid hydrate

Systemtic Name: 1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidine-4-carboxylic acid hydrate Openeye Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperidine-4-carboxylic acid hydrate CAS Name: 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinecarboxylic acid hydrate IUPAC Name: 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-carboxylic acid hydrate Traditional Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)isonipecotic acid hydrate Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)O)N)OC.O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)O)N)OC.O

InChI

InChI=1S/C16H20N4O4.H2O/c1-23-12-7-10-11(8-13(12)24-2)18-16(19-14(10)17)20-5-3-9(4-6-20)15(21)22;/h7-9H,3-6H2,1-2H3,(H,21,22)(H2,17,18,19);1H2