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

Systemtic Name: 4-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-4-keto-butyric acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C(=O)CCC(=O)O)C

InChI

InChI=1S/C16H20N4O3S/c1-10-11(2)24-16-14(10)15(17-9-18-16)20-7-5-19(6-8-20)12(21)3-4-13(22)23/h9H,3-8H2,1-2H3,(H,22,23)