2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine hydrate hydrochloride

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-7-phenylmethoxy-quinazolin-4-amine hydrate hydrochloride Openeye Name: 7-benzyloxy-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-quinazolin-4-amine hydrate hydrochloride CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-7-phenylmethoxy-4-quinazolinamine hydrate hydrochloride IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine hydrate hydrochloride Traditional Name: [7-benzoxy-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxy-quinazolin-4-yl]amine hydrate hydrochloride Formula: C27H31ClN4O5 MolecularWeight: 527.01184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OCC5=CC=CC=C5)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OCC5=CC=CC=C5)OC.O.Cl

InChI

InChI=1S/C27H28N4O4.ClH.H2O/c1-32-22-11-18-9-10-31(15-19(18)12-23(22)33-2)27-29-21-14-25(35-16-17-7-5-4-6-8-17)24(34-3)13-20(21)26(28)30-27;;/h4-8,11-14H,9-10,15-16H2,1-3H3,(H2,28,29,30);1H;1H2