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

Systemtic Name: N-phenethyl-3-[1H-pyrazolo[3,4-d]pyrimidin-4-yl(sulfanyl)methyl]benzamide Openeye Name: N-phenethyl-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-phenethylbenzamide IUPAC Name: N-phenethyl-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-phenethyl-benzamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(C3=C4C=NNC4=NC=N3)S

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(C3=C4C=NNC4=NC=N3)S

InChI

InChI=1S/C21H19N5OS/c27-21(22-10-9-14-5-2-1-3-6-14)16-8-4-7-15(11-16)19(28)18-17-12-25-26-20(17)24-13-23-18/h1-8,11-13,19,28H,9-10H2,(H,22,27)(H,23,24,25,26)