tert-butyl 3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(1-thieno[2,3-d]pyrimidin-4-yl-3-piperidyl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[1-(4-thieno[2,3-d]pyrimidinyl)-3-piperidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(1-thieno[2,3-d]pyrimidin-4-yl-3-piperidyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C22H31N5O3S/c1-22(2,3)30-21(29)27-10-4-6-15(12-27)19(28)25-16-7-5-9-26(13-16)18-17-8-11-31-20(17)24-14-23-18/h8,11,14-16H,4-7,9-10,12-13H2,1-3H3,(H,25,28)