2-[[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H26N4O2S2/c1-18(26(32)30-14-12-29(13-15-30)20-10-6-3-7-11-20)33-17-22-27-24(31)23-21(16-34-25(23)28-22)19-8-4-2-5-9-19/h2-11,16,18H,12-15,17H2,1H3,(H,27,28,31)/t18-/m0/s1