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

Systemtic Name: 7-[[4-[2-(3,4-dimethylphenoxy)ethanoyl]piperazin-1-yl]methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[[4-[2-(3,4-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-[[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[[4-[2-(3,4-dimethylphenoxy)acetyl]piperazino]methyl]-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C27H29N5O3S MolecularWeight: 503.61586

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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)COC5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)COC5=CC(=C(C=C5)C)C

InChI

InChI=1S/C27H29N5O3S/c1-18-4-7-21(8-5-18)26-29-32-24(33)15-22(28-27(32)36-26)16-30-10-12-31(13-11-30)25(34)17-35-23-9-6-19(2)20(3)14-23/h4-9,14-15H,10-13,16-17H2,1-3H3