2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H22N6OS MolecularWeight: 382.48258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6OS/c1-24-18-16(9-22-24)19(21-13-20-18)27-12-17(26)23-15-7-8-25(11-15)10-14-5-3-2-4-6-14/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,23,26)