1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-methyl-3-phenyl-propane-1,3-dione hydrate hydrochloride

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-methyl-3-phenyl-propane-1,3-dione hydrate hydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-methyl-3-phenyl-propane-1,3-dione hydrate hydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-methyl-3-phenylpropane-1,3-dione hydrate hydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methyl-3-phenylpropane-1,3-dione hydrate hydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-methyl-3-phenyl-propane-1,3-dione hydrate hydrochloride Formula: C24H30ClN5O5 MolecularWeight: 503.9785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O4.ClH.H2O/c1-15(21(30)16-7-5-4-6-8-16)23(31)28-9-11-29(12-10-28)24-26-18-14-20(33-3)19(32-2)13-17(18)22(25)27-24;;/h4-8,13-15H,9-12H2,1-3H3,(H2,25,26,27);1H;1H2