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

Systemtic Name: N-(2-methoxyphenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide Openeye Name: N-(2-methoxyphenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide CAS Name: 3-[mercapto(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methyl]-N-(2-methoxyphenyl)benzamide IUPAC Name: N-(2-methoxyphenyl)-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide Traditional Name: 3-[mercapto(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methyl]-N-(2-methoxyphenyl)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)C(C3=C4C=NNC4=NC=N3)S

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)C(C3=C4C=NNC4=NC=N3)S

InChI

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