4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-methylphenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methylphenyl]-2-methylphthalazin-1-one Traditional Name: 4-[3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-methyl-phenyl]-2-methyl-phthalazin-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C23H22N4OS/c1-14-9-10-17(12-18(14)13-29-23-24-15(2)11-16(3)25-23)21-19-7-5-6-8-20(19)22(28)27(4)26-21/h5-12H,13H2,1-4H3