2-(4-methylphenyl)-7-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-(4-methylphenyl)-7-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(4-methylphenyl)-7-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-(4-methylphenyl)-7-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[[4-[(E)-3-phenylacryloyl]piperazino]methyl]-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S/c1-19-7-10-21(11-8-19)25-28-31-24(33)17-22(27-26(31)34-25)18-29-13-15-30(16-14-29)23(32)12-9-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3/b12-9+