1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-6-methyl-2-oxidanyl-pyridin-4-one

Systemtic Name: 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-6-methyl-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-2-hydroxy-6-methyl-pyridin-4-one CAS Name: 1-ethyl-3-[(4-ethyl-1-piperazinyl)-[4-(methylthio)phenyl]methyl]-2-hydroxy-6-methyl-4-pyridinone IUPAC Name: 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-2-hydroxy-6-methylpyridin-4-one Traditional Name: 1-ethyl-3-[(4-ethylpiperazino)-[4-(methylthio)phenyl]methyl]-2-hydroxy-6-methyl-4-pyridone Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CC)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CC)O

InChI

InChI=1S/C22H31N3O2S/c1-5-23-11-13-24(14-12-23)21(17-7-9-18(28-4)10-8-17)20-19(26)15-16(3)25(6-2)22(20)27/h7-10,15,21,27H,5-6,11-14H2,1-4H3