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

Systemtic Name: tert-butyl 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N4O2S/c1-15-5-7-16(8-6-15)17-13-29-20-18(17)19(23-14-24-20)25-9-11-26(12-10-25)21(27)28-22(2,3)4/h5-8,13-14H,9-12H2,1-4H3