3-[[6-ethyl-4-(4-propanoylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[6-ethyl-4-(4-propanoylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[6-ethyl-4-(4-propanoylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid CAS Name: 3-[[[[6-ethyl-4-[4-(1-oxopropyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-ethyl-4-(4-propanoylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[6-ethyl-4-(4-propionylpiperazino)thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propionic acid Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)NC(=O)NCCC(=O)O)N3CCN(CC3)C(=O)CC

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)NC(=O)NCCC(=O)O)N3CCN(CC3)C(=O)CC

InChI

InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)