3-methyl-5-oxidanylidene-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 3-methyl-5-oxidanylidene-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanoic acid Openeye Name: 3-methyl-5-oxo-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanoic acid CAS Name: 3-methyl-5-oxo-5-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]pentanoic acid IUPAC Name: 3-methyl-5-oxo-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanoic acid Traditional Name: 5-keto-3-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazino)valeric acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=C3C=CSC3=NC=N2)CC(=O)O

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=C3C=CSC3=NC=N2)CC(=O)O

InChI

InChI=1S/C16H20N4O3S/c1-11(9-14(22)23)8-13(21)19-3-5-20(6-4-19)15-12-2-7-24-16(12)18-10-17-15/h2,7,10-11H,3-6,8-9H2,1H3,(H,22,23)