N-(3-cyanothiophen-2-yl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C18H20N8OS MolecularWeight: 396.4694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C18H20N8OS/c1-24-16-14(11-22-24)17(21-12-20-16)26-7-5-25(6-8-26)4-2-15(27)23-18-13(10-19)3-9-28-18/h3,9,11-12H,2,4-8H2,1H3,(H,23,27)