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

Systemtic Name: N-(2-methoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(2-methoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(2-methoxyphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(2-methoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(2-methoxyphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H17N5O2S/c1-27-17-8-3-2-7-16(17)24-19(26)14-6-4-5-13(9-14)11-28-20-15-10-23-25-18(15)21-12-22-20/h2-10,12H,11H2,1H3,(H,24,26)(H,21,22,23,25)