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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

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