2-[6-methyl-4-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-4-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[6-methyl-4-oxo-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C17H18N6O5S2 MolecularWeight: 450.49202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)O)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)O)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6O5S2/c1-11-14(13-15(29-11)20-10-22(16(13)26)9-12(24)25)30(27,28)23-7-5-21(6-8-23)17-18-3-2-4-19-17/h2-4,10H,5-9H2,1H3,(H,24,25)