2-[4-[1-methyl-4-(2-thiophen-2-ylethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[1-methyl-4-(2-thiophen-2-ylethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[1-methyl-4-[2-(2-thienyl)ethylamino]pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[1-methyl-4-(2-thiophen-2-ylethylamino)-6-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[1-methyl-4-(2-thiophen-2-ylethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[1-methyl-4-[2-(2-thienyl)ethylamino]pyrazolo[3,4-d]pyrimidin-6-yl]piperazino]ethanol Formula: C18H25N7OS MolecularWeight: 387.5024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)CCO)NCCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)CCO)NCCC4=CC=CS4

InChI

InChI=1S/C18H25N7OS/c1-23-17-15(13-20-23)16(19-5-4-14-3-2-12-27-14)21-18(22-17)25-8-6-24(7-9-25)10-11-26/h2-3,12-13,26H,4-11H2,1H3,(H,19,21,22)