2-methyl-5-[2-(2-methylpropylsulfinyl)ethyl]-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-[2-(2-methylpropylsulfinyl)ethyl]-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-isobutylsulfinylethyl)-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-[2-(2-methylpropylsulfinyl)ethyl]-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-[2-(2-methylpropylsulfinyl)ethyl]-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-isobutylsulfinylethyl)-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CN=CC=C2)CCS(=O)CC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CN=CC=C2)CCS(=O)CC(C)C

InChI

InChI=1S/C18H23N3O2S/c1-13(2)12-24(23)10-8-16-17(20-14(3)21-18(16)22)7-6-15-5-4-9-19-11-15/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,20,21,22)/b7-6+