4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4-pyrrolidin-1-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4-pyrrolidin-1-yl-butanamide Openeye Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4-pyrrolidin-1-yl-butanamide CAS Name: 4-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-(1-pyrrolidinyl)butanamide IUPAC Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4-pyrrolidin-1-ylbutanamide Traditional Name: 4-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-pyrrolidino-butyramide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCN(C1)C(=O)CCC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H22N6O2S/c27-17(6-7-18(28)26-8-1-2-9-26)24-15-5-3-4-14(10-15)12-29-20-16-11-23-25-19(16)21-13-22-20/h3-5,10-11,13H,1-2,6-9,12H2,(H,24,27)(H,21,22,23,25)