2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethanone Formula: C27H28N6OS MolecularWeight: 484.61582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC(=CC(=N5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC(=CC(=N5)C)C

InChI

InChI=1S/C27H28N6OS/c1-18-8-10-21(11-9-18)25-22-6-4-5-7-23(22)26(31-30-25)33-14-12-32(13-15-33)24(34)17-35-27-28-19(2)16-20(3)29-27/h4-11,16H,12-15,17H2,1-3H3