2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-keto-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propyl]thio]acetamide Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCSCC(=O)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCSCC(=O)N

InChI

InChI=1S/C15H21N7O2S/c1-20-14-11(8-19-20)15(18-10-17-14)22-5-3-21(4-6-22)13(24)2-7-25-9-12(16)23/h8,10H,2-7,9H2,1H3,(H2,16,23)