3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-propan-2-yl-cyclohex-2-en-1-one dihydrate dihydrochloride

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-propan-2-yl-cyclohex-2-en-1-one dihydrate dihydrochloride Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-isopropyl-cyclohex-2-en-1-one dihydrate dihydrochloride CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-propan-2-yl-1-cyclohex-2-enone dihydrate dihydrochloride IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-propan-2-ylcyclohex-2-en-1-one dihydrate dihydrochloride Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-isopropyl-cyclohex-2-en-1-one dihydrate dihydrochloride Formula: C23H37Cl2N5O5 MolecularWeight: 534.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=CC(=O)C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.O.O.Cl.Cl

Isomeric SMILES

CC(C)C1CC(=CC(=O)C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.O.O.Cl.Cl

InChI

InChI=1S/C23H31N5O3.2ClH.2H2O/c1-14(2)15-9-16(11-17(29)10-15)27-5-7-28(8-6-27)23-25-19-13-21(31-4)20(30-3)12-18(19)22(24)26-23;;;;/h11-15H,5-10H2,1-4H3,(H2,24,25,26);2*1H;2*1H2