3-methoxy-4-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3-methoxy-4-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-hydroxy-3-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 4-hydroxy-3-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 4-hydroxy-3-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-hydroxy-3-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)O

InChI

InChI=1S/C20H17N5O3S/c1-28-17-8-13(5-6-16(17)26)19(27)24-14-4-2-3-12(7-14)10-29-20-15-9-23-25-18(15)21-11-22-20/h2-9,11,26H,10H2,1H3,(H,24,27)(H,21,22,23,25)