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

Systemtic Name: 3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(furan-2-ylmethyl)-6-methyl-2-oxidanyl-pyridin-4-one Openeye Name: 3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(2-furylmethyl)-2-hydroxy-6-methyl-pyridin-4-one CAS Name: 3-[(4-ethyl-1-piperazinyl)-[4-(methylthio)phenyl]methyl]-1-(2-furanylmethyl)-2-hydroxy-6-methyl-4-pyridinone IUPAC Name: 3-[(4-ethylpiperazin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-(furan-2-ylmethyl)-2-hydroxy-6-methylpyridin-4-one Traditional Name: 3-[(4-ethylpiperazino)-[4-(methylthio)phenyl]methyl]-1-(2-furfuryl)-2-hydroxy-6-methyl-4-pyridone Formula: C25H31N3O3S MolecularWeight: 453.59694

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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)CC4=CC=CO4)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CC4=CC=CO4)O

InChI

InChI=1S/C25H31N3O3S/c1-4-26-11-13-27(14-12-26)24(19-7-9-21(32-3)10-8-19)23-22(29)16-18(2)28(25(23)30)17-20-6-5-15-31-20/h5-10,15-16,24,30H,4,11-14,17H2,1-3H3