4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-dimethyl-benzamide

Systemtic Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-dimethyl-benzamide Openeye Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-dimethyl-benzamide CAS Name: 4-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phthalazinyl]-N,N-dimethylbenzamide IUPAC Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-dimethylbenzamide Traditional Name: 4-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phthalazin-1-yl]-N,N-dimethyl-benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N(C)C)C

InChI

InChI=1S/C23H21N5OS/c1-14-13-15(2)25-23(24-14)30-21-19-8-6-5-7-18(19)20(26-27-21)16-9-11-17(12-10-16)22(29)28(3)4/h5-13H,1-4H3