1-methyl-5-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-methyl-5-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-methyl-5-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-methyl-5-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-methyl-5-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyrrolidine-3-carboxamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CN1CC(CC1=O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H18N6O2S/c1-24-8-12(6-15(24)25)17(26)22-13-4-2-3-11(5-13)9-27-18-14-7-21-23-16(14)19-10-20-18/h2-5,7,10,12H,6,8-9H2,1H3,(H,22,26)(H,19,20,21,23)