5-(4-aminophenyl)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]pentan-1-one dihydrochloride

Systemtic Name: 5-(4-aminophenyl)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]pentan-1-one dihydrochloride Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-aminophenyl)pentan-1-one dihydrochloride CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-aminophenyl)-1-pentanone dihydrochloride IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-aminophenyl)pentan-1-one dihydrochloride Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-5-(4-aminophenyl)pentan-1-one dihydrochloride Formula: C25H34Cl2N6O3 MolecularWeight: 537.48186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC=C(C=C4)N)N)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC=C(C=C4)N)N)OC.Cl.Cl

InChI

InChI=1S/C25H32N6O3.2ClH/c1-33-21-15-19-20(16-22(21)34-2)28-25(29-24(19)27)31-13-11-30(12-14-31)23(32)6-4-3-5-17-7-9-18(26)10-8-17;;/h7-10,15-16H,3-6,11-14,26H2,1-2H3,(H2,27,28,29);2*1H