2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O2S/c1-3-6-18-13-19(26)23-21(22-18)28-15-20(27)25-11-9-24(10-12-25)14-17-8-5-4-7-16(17)2/h4-5,7-8,13H,3,6,9-12,14-15H2,1-2H3,(H,22,23,26)