2-(3,4-dimethylphenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-[4-[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-[4-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-[4-[2-[(4-methylpyrimidin-2-yl)thio]acetyl]piperazino]pyridazin-3-one Formula: C23H26N6O2S MolecularWeight: 450.55654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)CSC4=NC=CC(=N4)C)C

InChI

InChI=1S/C23H26N6O2S/c1-16-4-5-19(14-17(16)2)29-21(30)7-6-20(26-29)27-10-12-28(13-11-27)22(31)15-32-23-24-9-8-18(3)25-23/h4-9,14H,10-13,15H2,1-3H3