2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-benzyl]acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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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)CNC(=O)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-15-9-10-18(23-20-7-5-6-8-21(20)24(32)30(4)29-23)12-19(15)13-26-22(31)14-33-25-27-16(2)11-17(3)28-25/h5-12H,13-14H2,1-4H3,(H,26,31)