2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-phenethyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4

InChI

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