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

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrate dihydrochloride Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one dihydrate dihydrochloride CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5,5-dimethyl-1-cyclohex-2-enone dihydrate dihydrochloride IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one dihydrate dihydrochloride Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5,5-dimethyl-cyclohex-2-en-1-one dihydrate dihydrochloride Formula: C22H35Cl2N5O5 MolecularWeight: 520.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C.O.O.Cl.Cl

Isomeric SMILES

CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)C.O.O.Cl.Cl

InChI

InChI=1S/C22H29N5O3.2ClH.2H2O/c1-22(2)12-14(9-15(28)13-22)26-5-7-27(8-6-26)21-24-17-11-19(30-4)18(29-3)10-16(17)20(23)25-21;;;;/h9-11H,5-8,12-13H2,1-4H3,(H2,23,24,25);2*1H;2*1H2