4-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]butan-1-ol hydrate dihydrochloride

Systemtic Name: 4-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]butan-1-ol hydrate dihydrochloride Openeye Name: 4-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]butan-1-ol hydrate dihydrochloride CAS Name: 4-[4-(6,7-dimethoxy-2-methyl-4-quinazolinyl)-1-piperazinyl]-1-butanol hydrate dihydrochloride IUPAC Name: 4-[4-(6,7-dimethoxy-2-methylquinazolin-4-yl)piperazin-1-yl]butan-1-ol hydrate dihydrochloride Traditional Name: 4-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazino]butan-1-ol hydrate dihydrochloride Formula: C19H32Cl2N4O4 MolecularWeight: 451.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)CCCCO)OC)OC.O.Cl.Cl

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)CCCCO)OC)OC.O.Cl.Cl

InChI

InChI=1S/C19H28N4O3.2ClH.H2O/c1-14-20-16-13-18(26-3)17(25-2)12-15(16)19(21-14)23-9-7-22(8-10-23)6-4-5-11-24;;;/h12-13,24H,4-11H2,1-3H3;2*1H;1H2