4-[2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]ethyl]phenol hydrochloride

Systemtic Name: 4-[2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]ethyl]phenol hydrochloride Openeye Name: 4-[2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]ethyl]phenol hydrochloride CAS Name: 4-[2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]ethyl]phenol hydrochloride IUPAC Name: 4-[2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]ethyl]phenol hydrochloride Traditional Name: 4-[2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]ethyl]phenol hydrochloride Formula: C22H28ClN5O3 MolecularWeight: 445.94242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCC4=CC=C(C=C4)O)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCC4=CC=C(C=C4)O)N)OC.Cl

InChI

InChI=1S/C22H27N5O3.ClH/c1-29-19-13-17-18(14-20(19)30-2)24-22(25-21(17)23)27-11-9-26(10-12-27)8-7-15-3-5-16(28)6-4-15;/h3-6,13-14,28H,7-12H2,1-2H3,(H2,23,24,25);1H