2-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-oxo-4-phenyl-butanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-2-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-4-phenyl-butyric acid Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC(CC(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC(CC(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O4S/c1-18-25-26(20-13-15-22(37-2)16-14-20)30-29(31-27(25)33(32-18)21-11-7-4-8-12-21)38-24(28(35)36)17-23(34)19-9-5-3-6-10-19/h3-16,24H,17H2,1-2H3,(H,35,36)