4-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one

Systemtic Name: 4-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one Openeye Name: 4-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one CAS Name: 4-[6-ethyl-4-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]-2-piperazinone IUPAC Name: 4-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one Traditional Name: 4-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]piperazin-2-one Formula: C29H30N6O2S MolecularWeight: 526.6525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)N3CCNC(=O)C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)N3CCNC(=O)C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N6O2S/c1-2-23-18-24-26(31-29(32-27(24)38-23)35-13-12-30-25(36)19-35)33-14-16-34(17-15-33)28(37)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18H,2,12-17,19H2,1H3,(H,30,36)