tert-butyl 4-[2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(4-morpholinylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H33N5O3S/c1-26(2,3)34-25(32)31-11-9-30(10-12-31)23-22-20(19-7-5-4-6-8-19)18-35-24(22)28-21(27-23)17-29-13-15-33-16-14-29/h4-8,18H,9-17H2,1-3H3