2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC(=CC(=N3)N)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC(=CC(=N3)N)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H25N5O3S/c1-30-17-10-15-8-9-28(21(29)13-32-23-26-19(24)12-20(25)27-23)22(14-6-4-3-5-7-14)16(15)11-18(17)31-2/h3-7,10-12,22H,8-9,13H2,1-2H3,(H4,24,25,26,27)