6-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-3-carboxamide Openeye Name: 6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-3-carboxamide CAS Name: 6-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-pyrancarboxamide IUPAC Name: 6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-3-carboxamide Traditional Name: 6-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyran-3-carboxamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=COC(=O)C=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=COC(=O)C=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H13N5O3S/c24-15-5-4-12(8-26-15)17(25)22-13-3-1-2-11(6-13)9-27-18-14-7-21-23-16(14)19-10-20-18/h1-8,10H,9H2,(H,22,25)(H,19,20,21,23)