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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H26N4O3S/c1-3-6-15-13-18(25)22-20(21-15)28-14-19(26)24-11-9-23(10-12-24)16-7-4-5-8-17(16)27-2/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3,(H,21,22,25)