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

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-allyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-allyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(2-thenyl)acetamide Formula: C20H25N7OS MolecularWeight: 411.5238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)N(CC=C)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)N(CC=C)CC4=CC=CS4

InChI

InChI=1S/C20H25N7OS/c1-3-6-27(13-16-5-4-11-29-16)18(28)14-25-7-9-26(10-8-25)20-17-12-23-24(2)19(17)21-15-22-20/h3-5,11-12,15H,1,6-10,13-14H2,2H3