6,7-dimethoxy-2-[4-(2-phenoxy-1-phenyl-ethoxy)piperidin-1-yl]quinazolin-4-amine hydrate hydrochloride

Systemtic Name: 6,7-dimethoxy-2-[4-(2-phenoxy-1-phenyl-ethoxy)piperidin-1-yl]quinazolin-4-amine hydrate hydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(2-phenoxy-1-phenyl-ethoxy)-1-piperidyl]quinazolin-4-amine hydrate hydrochloride CAS Name: 6,7-dimethoxy-2-[4-(2-phenoxy-1-phenylethoxy)-1-piperidinyl]-4-quinazolinamine hydrate hydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(2-phenoxy-1-phenylethoxy)piperidin-1-yl]quinazolin-4-amine hydrate hydrochloride Traditional Name: [6,7-dimethoxy-2-[4-(2-phenoxy-1-phenyl-ethoxy)piperidino]quinazolin-4-yl]amine hydrate hydrochloride Formula: C29H35ClN4O5 MolecularWeight: 555.065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)OC(COC4=CC=CC=C4)C5=CC=CC=C5)N)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)OC(COC4=CC=CC=C4)C5=CC=CC=C5)N)OC.O.Cl

InChI

InChI=1S/C29H32N4O4.ClH.H2O/c1-34-25-17-23-24(18-26(25)35-2)31-29(32-28(23)30)33-15-13-22(14-16-33)37-27(20-9-5-3-6-10-20)19-36-21-11-7-4-8-12-21;;/h3-12,17-18,22,27H,13-16,19H2,1-2H3,(H2,30,31,32);1H;1H2