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

Systemtic Name: 3-[6-ethyl-4-[4-(3-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]oxypropanal Openeye Name: 3-[6-ethyl-4-[4-(3-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]oxypropanal CAS Name: 3-[[6-ethyl-4-[4-[oxo-(3-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]oxy]propanal IUPAC Name: 3-[6-ethyl-4-[4-(3-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]oxypropanal Traditional Name: 3-[6-ethyl-4-[4-(3-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]oxypropionaldehyde Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3S/c1-2-23-19-24-25(29-28(30-26(24)36-23)35-17-7-16-33)31-12-14-32(15-13-31)27(34)22-11-6-10-21(18-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,2,7,12-15,17H2,1H3