N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-cyclopropyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-p-anisyl-acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=C(C=C3)OC)C4CC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=C(C=C3)OC)C4CC4

InChI

InChI=1S/C19H21N5O2S/c1-23-18-16(9-22-23)19(21-12-20-18)27-11-17(25)24(14-5-6-14)10-13-3-7-15(26-2)8-4-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3