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

Systemtic Name: 6-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-2-carboxamide Openeye Name: 6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-2-carboxamide CAS Name: 6-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyridine-2-carboxamide IUPAC Name: 6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-2-carboxamide Traditional Name: 6-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyridine-2-carboxamide Formula: C18H14N6O2S MolecularWeight: 378.40776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=O)N2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=O)N2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H14N6O2S/c25-15-6-2-5-14(23-15)17(26)22-12-4-1-3-11(7-12)9-27-18-13-8-21-24-16(13)19-10-20-18/h1-8,10H,9H2,(H,22,26)(H,23,25)(H,19,20,21,24)