5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-5-keto-valeric acid Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-2-12-10-13-16(18-11-19-17(13)25-12)21-8-6-20(7-9-21)14(22)4-3-5-15(23)24/h10-11H,2-9H2,1H3,(H,23,24)