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

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid CAS Name: 3-[[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-thieno[2,3-d]pyrimidinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[4-(4-acetylpiperazino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propionic acid Formula: C18H24N6O4S MolecularWeight: 420.48596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)