2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-2-keto-acetic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C(=O)O

InChI

InChI=1S/C14H16N4O3S/c1-2-9-7-10-11(15-8-16-12(10)22-9)17-3-5-18(6-4-17)13(19)14(20)21/h7-8H,2-6H2,1H3,(H,20,21)