tert-butyl 4-[2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O4S2/c1-21(2,3)29-20(28)24-8-6-23(7-9-24)16(26)11-25-13-22-18-17(19(25)27)14(12-31-18)15-5-4-10-30-15/h4-5,10,12-13H,6-9,11H2,1-3H3