N-[2-(2-methoxyphenyl)ethyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(2-methoxyphenyl)ethyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(2-methoxyphenyl)ethyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[2-(2-methoxyphenyl)ethyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[2-(2-methoxyphenyl)ethyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(2-methoxyphenyl)ethyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C22H21N5O2S/c1-29-19-8-3-2-6-16(19)9-10-23-21(28)17-7-4-5-15(11-17)13-30-22-18-12-26-27-20(18)24-14-25-22/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,28)(H,24,25,26,27)