1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; hydron; chloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; hydron; chloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; hydron; chloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-1-butanone; hydron; chloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; hydron; chloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one; hydron; chloride Formula: C19H28ClN5O3 MolecularWeight: 409.91032

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.[Cl-]

Isomeric SMILES

[H+].CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.[Cl-]

InChI

InChI=1S/C19H27N5O3.ClH/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19;/h11-12H,4-10H2,1-3H3,(H2,20,21,22);1H