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

Systemtic Name: propyl 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S/c1-4-13-30-23(29)18-11-9-17(10-12-18)21-19-7-5-6-8-20(19)22(28-27-21)31-24-25-15(2)14-16(3)26-24/h5-12,14H,4,13H2,1-3H3