4-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[5,6-dimethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-N-phenethyl-piperazine-1-carbothioamide Formula: C28H31N5S2 MolecularWeight: 501.70924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H31N5S2/c1-20-21(2)35-27-25(20)26(30-24(31-27)19-23-11-7-4-8-12-23)32-15-17-33(18-16-32)28(34)29-14-13-22-9-5-3-6-10-22/h3-12H,13-19H2,1-2H3,(H,29,34)