N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N7O2S/c1-27-19-17(13-25-27)20(24-14-23-19)28-8-10-29(11-9-28)22(31)15-4-6-16(7-5-15)26-21(30)18-3-2-12-32-18/h2-7,12-14H,8-11H2,1H3,(H,26,30)