3-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]propan-1-ol hydrate dihydrochloride

Systemtic Name: 3-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]propan-1-ol hydrate dihydrochloride Openeye Name: 3-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazin-1-yl]propan-1-ol hydrate dihydrochloride CAS Name: 3-[4-(6,7-dimethoxy-2-methyl-4-quinazolinyl)-1-piperazinyl]-1-propanol hydrate dihydrochloride IUPAC Name: 3-[4-(6,7-dimethoxy-2-methylquinazolin-4-yl)piperazin-1-yl]propan-1-ol hydrate dihydrochloride Traditional Name: 3-[4-(6,7-dimethoxy-2-methyl-quinazolin-4-yl)piperazino]propan-1-ol hydrate dihydrochloride Formula: C18H30Cl2N4O4 MolecularWeight: 437.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3.2ClH.H2O/c1-13-19-15-12-17(25-3)16(24-2)11-14(15)18(20-13)22-8-6-21(7-9-22)5-4-10-23;;;/h11-12,23H,4-10H2,1-3H3;2*1H;1H2