1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-yl-phenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-yl-phenoxy)-2-methyl-propan-1-one Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-isopropyl-6-methoxy-phenoxy)-2-methyl-propan-1-one CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-(2-methoxy-6-propan-2-ylphenoxy)-2-methyl-1-propanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-ylphenoxy)-2-methylpropan-1-one Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-(2-isopropyl-6-methoxy-phenoxy)-2-methyl-propan-1-one Formula: C28H37N5O5 MolecularWeight: 523.62388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O5/c1-17(2)18-9-8-10-21(35-5)24(18)38-28(3,4)26(34)32-11-13-33(14-12-32)27-30-20-16-23(37-7)22(36-6)15-19(20)25(29)31-27/h8-10,15-17H,11-14H2,1-7H3,(H2,29,30,31)