2-methoxy-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-methoxy-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-methoxy-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide CAS Name: 2-methoxy-2-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide IUPAC Name: 2-methoxy-2-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-methoxy-2-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-28-18(15-7-3-2-4-8-15)20(27)25-16-9-5-6-14(10-16)12-29-21-17-11-24-26-19(17)22-13-23-21/h2-11,13,18H,12H2,1H3,(H,25,27)(H,22,23,24,26)