2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-[1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(1-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-[1-(2-thienyl)ethyl]acetamide Formula: C18H23N7OS MolecularWeight: 385.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H23N7OS/c1-13(15-4-3-9-27-15)22-16(26)11-24-5-7-25(8-6-24)18-14-10-21-23(2)17(14)19-12-20-18/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,26)