(5E)-5-[1-[4-[2-(1-methyl-7-oxidanylidene-5-phenyl-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethylsulfanyl]phenyl]ethylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[1-[4-[2-(1-methyl-7-oxidanylidene-5-phenyl-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethylsulfanyl]phenyl]ethylidene]-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[1-[4-[2-(1-methyl-7-oxo-5-phenyl-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethylsulfanyl]phenyl]ethylidene]thiazolidine-2,4-dione CAS Name: (5E)-5-[1-[4-[2-(1-methyl-7-oxo-5-phenyl-3-propyl-6-pyrazolo[4,3-d]pyrimidinyl)ethylthio]phenyl]ethylidene]thiazolidine-2,4-dione IUPAC Name: (5E)-5-[1-[4-[2-(1-methyl-7-oxo-5-phenyl-3-propylpyrazolo[4,3-d]pyrimidin-6-yl)ethylsulfanyl]phenyl]ethylidene]-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-[1-[4-[2-(7-keto-1-methyl-5-phenyl-3-propyl-pyrazolo[4,3-d]pyrimidin-6-yl)ethylthio]phenyl]ethylidene]thiazolidine-2,4-quinone Formula: C28H27N5O3S2 MolecularWeight: 545.67568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N(C2=O)CCSC3=CC=C(C=C3)C(=C4C(=O)NC(=O)S4)C)C5=CC=CC=C5)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N(C2=O)CCSC3=CC=C(C=C3)/C(=C/4\C(=O)NC(=O)S4)/C)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N5O3S2/c1-4-8-21-22-23(32(3)31-21)27(35)33(25(29-22)19-9-6-5-7-10-19)15-16-37-20-13-11-18(12-14-20)17(2)24-26(34)30-28(36)38-24/h5-7,9-14H,4,8,15-16H2,1-3H3,(H,30,34,36)/b24-17+