tert-butyl 4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C18H24N4O4S/c1-18(2,3)26-17(25)21-9-7-20(8-10-21)14(23)4-6-22-12-19-15-13(16(22)24)5-11-27-15/h5,11-12H,4,6-10H2,1-3H3