1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-4-(2-thienyl)butan-1-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C18H22N6OS/c1-22-17-15(12-21-22)18(20-13-19-17)24-9-7-23(8-10-24)16(25)6-2-4-14-5-3-11-26-14/h3,5,11-13H,2,4,6-10H2,1H3