4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-2-carboxamide Openeye Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-2-carboxamide CAS Name: 4-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-pyrancarboxamide IUPAC Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyran-2-carboxamide Traditional Name: 4-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyran-2-carboxamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=O)C=CO2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=O)C=CO2)CSC3=NC=NC4=C3C=NN4

InChI

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