6-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C26H28N4O4S MolecularWeight: 492.58992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N4O4S/c1-18(31)20-6-8-22(9-7-20)29-10-12-30(13-11-29)25(33)16-21-15-24(32)28-26(27-21)35-17-19-4-3-5-23(14-19)34-2/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,27,28,32)