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

Systemtic Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C18H22N8O2S MolecularWeight: 414.48468

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N8O2S/c1-24-16-13(10-22-24)17(21-11-20-16)26-7-5-25(6-8-26)4-2-14(27)23-18-12(15(19)28)3-9-29-18/h3,9-11H,2,4-8H2,1H3,(H2,19,28)(H,23,27)