5-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-[2-(4-ethanoyl-4-phenyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-(4-acetyl-4-phenyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-(4-acetyl-4-phenyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(4-acetyl-4-phenyl-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c1-17(32)26(19-10-6-3-7-11-19)12-14-30(15-13-26)24(34)21(18-8-4-2-5-9-18)31-16-27-22-20(25(31)35)23(33)29-28-22/h2-11,16,21H,12-15H2,1H3,(H2,28,29,33)