3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-5-phenyl-3H-furan-2-one

Systemtic Name: 3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-5-phenyl-3H-furan-2-one Openeye Name: 3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-5-phenyl-3H-furan-2-one CAS Name: 3-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-5-phenyl-3H-furan-2-one IUPAC Name: 3-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-5-phenyl-3H-furan-2-one Traditional Name: 3-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-5-phenyl-3H-furan-2-one Formula: C29H22N4O3S MolecularWeight: 506.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC4C=C(OC4=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)SC4C=C(OC4=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H22N4O3S/c1-18-25-26(20-13-15-22(35-2)16-14-20)30-29(31-27(25)33(32-18)21-11-7-4-8-12-21)37-24-17-23(36-28(24)34)19-9-5-3-6-10-19/h3-17,24H,1-2H3