3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-propyl-pyrimidin-4-one

Systemtic Name: 3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-propyl-pyrimidin-4-one Openeye Name: 2-methylsulfanyl-3-[2-oxo-2-[4-(p-tolyl)piperazin-1-yl]ethyl]-6-propyl-pyrimidin-4-one CAS Name: 3-[2-[4-(4-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(methylthio)-6-propyl-4-pyrimidinone IUPAC Name: 3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanyl-6-propylpyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(p-tolyl)piperazino]ethyl]-2-(methylthio)-6-propyl-pyrimidin-4-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=N1)SC)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)N(C(=N1)SC)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O2S/c1-4-5-17-14-19(26)25(21(22-17)28-3)15-20(27)24-12-10-23(11-13-24)18-8-6-16(2)7-9-18/h6-9,14H,4-5,10-13,15H2,1-3H3