N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyrimidin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide

Systemtic Name: N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyrimidin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Openeye Name: N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyrimidin-2-yl-phenyl)-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide CAS Name: N-[2-[1-[2-cyano-4,5-dimethoxy-3-(2-pyrimidinyl)phenyl]iminoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide IUPAC Name: N-[2-[N-(2-cyano-4,5-dimethoxy-3-pyrimidin-2-ylphenyl)-C-methylcarbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Traditional Name: N-[2-[N-[2-cyano-4,5-dimethoxy-3-(2-pyrimidyl)phenyl]-C-methyl-carbonimidoyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)C2=NC=CC=N2)OC)OC)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)C2=NC=CC=N2)OC)OC)N3CCC4=C(C3)C=CC=C4NS(=O)(=O)C

InChI

InChI=1S/C25H26N6O4S/c1-16(31-12-9-18-17(15-31)7-5-8-20(18)30-36(4,32)33)29-21-13-22(34-2)24(35-3)23(19(21)14-26)25-27-10-6-11-28-25/h5-8,10-11,13,30H,9,12,15H2,1-4H3