6-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid

Systemtic Name: 6-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid Openeye Name: 4-(4-tert-butoxycarbonylpiperazin-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxylic acid CAS Name: 6-ethyl-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxylic acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C(=O)O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C(=O)O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N4O4S/c1-5-11-10-12-14(19-13(16(23)24)20-15(12)27-11)21-6-8-22(9-7-21)17(25)26-18(2,3)4/h10H,5-9H2,1-4H3,(H,23,24)