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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-keto-2-(4-mesylpiperazino)ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S2/c1-14-17(12-18(25)23-7-9-24(10-8-23)31(3,27)28)19(26)22-20(21-14)30-13-15-5-4-6-16(11-15)29-2/h4-6,11H,7-10,12-13H2,1-3H3,(H,21,22,26)