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

Systemtic Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-naphthalen-2-yl-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-(2-naphthyl)-4-oxo-butanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-4-(2-naphthalenyl)-4-oxobutanoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-4-naphthalen-2-yl-4-oxobutanoic acid Traditional Name: 4-keto-2-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-4-(2-naphthyl)butyric acid Formula: C33H26N4O4S MolecularWeight: 574.64894

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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=CC5=CC=CC=C5C=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC(CC(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C33H26N4O4S/c1-20-29-30(22-14-16-26(41-2)17-15-22)34-33(35-31(29)37(36-20)25-10-4-3-5-11-25)42-28(32(39)40)19-27(38)24-13-12-21-8-6-7-9-23(21)18-24/h3-18,28H,19H2,1-2H3,(H,39,40)