3-[4-(4-azanyl-7,8-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]propan-1-ol hydrochloride

Systemtic Name: 3-[4-(4-azanyl-7,8-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]propan-1-ol hydrochloride Openeye Name: 3-[4-(4-amino-7,8-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]propan-1-ol hydrochloride CAS Name: 3-[4-(4-amino-7,8-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-1-propanol hydrochloride IUPAC Name: 3-[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]propan-1-ol hydrochloride Traditional Name: 3-[4-(4-amino-7,8-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]propan-1-ol hydrochloride Formula: C18H28ClN5O3 MolecularWeight: 397.89962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NC(=N2)N3CCCN(CC3)CCCO)N)OC.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=NC(=N2)N3CCCN(CC3)CCCO)N)OC.Cl

InChI

InChI=1S/C18H27N5O3.ClH/c1-25-14-6-5-13-15(16(14)26-2)20-18(21-17(13)19)23-9-3-7-22(10-11-23)8-4-12-24;/h5-6,24H,3-4,7-12H2,1-2H3,(H2,19,20,21);1H