ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]benzoate CAS Name: 4-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]benzoate Traditional Name: 4-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phthalazin-1-yl]benzoic acid ethyl ester Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C23H20N4O2S/c1-4-29-22(28)17-11-9-16(10-12-17)20-18-7-5-6-8-19(18)21(27-26-20)30-23-24-14(2)13-15(3)25-23/h5-13H,4H2,1-3H3