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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-18-22(16-23(30)29-13-11-28(12-14-29)20-8-4-3-5-9-20)24(31)27-25(26-18)33-17-19-7-6-10-21(15-19)32-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,31)