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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-4-15-13-18(25)22-20(21-15)28-14-19(26)24-11-9-23(10-12-24)16-5-7-17(27-2)8-6-16/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,22,25)