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

Systemtic Name: 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-3-keto-propionic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-2-10-7-11-14(16-9-17-15(11)23-10)19-5-3-18(4-6-19)12(20)8-13(21)22/h7,9H,2-6,8H2,1H3,(H,21,22)