tert-butyl 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-thieno[3,2-d]pyrimidinylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=NC=NC3=C2SC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C18H27N5O2S/c1-18(2,3)25-17(24)23-10-8-22(9-11-23)7-4-6-19-16-15-14(5-12-26-15)20-13-21-16/h5,12-13H,4,6-11H2,1-3H3,(H,19,20,21)