N-[4-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-yl-pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine

Systemtic Name: N-[4-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-yl-pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine Openeye Name: N-[4-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholino-pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine CAS Name: N-[4-(6-methylsulfonyl-1H-indol-4-yl)-6-(4-morpholinyl)-2-pyrimidinyl]-1,2,3,4-tetrahydroisoquinolin-6-amine IUPAC Name: N-[4-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine Traditional Name: [4-(6-mesyl-1H-indol-4-yl)-6-morpholino-pyrimidin-2-yl]-(1,2,3,4-tetrahydroisoquinolin-6-yl)amine Formula: C26H28N6O3S MolecularWeight: 504.60392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=CN2)C(=C1)C3=CC(=NC(=N3)NC4=CC5=C(CNCC5)C=C4)N6CCOCC6

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=CN2)C(=C1)C3=CC(=NC(=N3)NC4=CC5=C(CNCC5)C=C4)N6CCOCC6

InChI

InChI=1S/C26H28N6O3S/c1-36(33,34)20-13-22(21-5-7-28-23(21)14-20)24-15-25(32-8-10-35-11-9-32)31-26(30-24)29-19-3-2-18-16-27-6-4-17(18)12-19/h2-3,5,7,12-15,27-28H,4,6,8-11,16H2,1H3,(H,29,30,31)