2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-2-quinazolinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C26H27N5O6S MolecularWeight: 537.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC3=CC(=C(C=C3C(=N2)N4CCC5=CC(=C(C=C5C4)OC)OC)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC3=CC(=C(C=C3C(=N2)N4CCC5=CC(=C(C=C5C4)OC)OC)OC)OC)C(=O)O

InChI

InChI=1S/C26H27N5O6S/c1-13-22(24(32)33)38-26(27-13)30-25-28-17-11-21(37-5)20(36-4)10-16(17)23(29-25)31-7-6-14-8-18(34-2)19(35-3)9-15(14)12-31/h8-11H,6-7,12H2,1-5H3,(H,32,33)(H,27,28,29,30)