2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-19-23(25(32)28-26(27-19)34-18-21-9-6-10-22(15-21)33-2)16-24(31)30-13-11-29(12-14-30)17-20-7-4-3-5-8-20/h3-10,15H,11-14,16-18H2,1-2H3,(H,27,28,32)