N-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-2-oxidanyl-ethanamide

Systemtic Name: N-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-2-oxidanyl-ethanamide Openeye Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-2-hydroxy-acetamide CAS Name: N-[6-ethyl-4-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]-2-hydroxyacetamide IUPAC Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-2-hydroxyacetamide Traditional Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]-2-hydroxy-acetamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)NC(=O)CO)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)NC(=O)CO)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3S/c1-2-21-16-22-24(29-27(28-23(34)17-33)30-25(22)36-21)31-12-14-32(15-13-31)26(35)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16,33H,2,12-15,17H2,1H3,(H,28,29,30,34)