5-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-keto-3-(4-p-phenetylsulfonylpiperazino)propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(NC(=NC3=O)SC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(NC(=NC3=O)SC)C

InChI

InChI=1S/C21H28N4O5S2/c1-4-30-16-5-7-17(8-6-16)32(28,29)25-13-11-24(12-14-25)19(26)10-9-18-15(2)22-21(31-3)23-20(18)27/h5-8H,4,9-14H2,1-3H3,(H,22,23,27)