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

Systemtic Name: 2-methyl-5-(2-propylsulfinylethyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-(2-propylsulfinylethyl)-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(2-propylsulfinylethyl)-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(2-propylsulfinylethyl)-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-(2-propylsulfinylethyl)-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-4-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCC1=C(NC(=NC1=O)C)C=CC2=CN=CC=C2

Isomeric SMILES

CCCS(=O)CCC1=C(NC(=NC1=O)C)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-3-10-23(22)11-8-15-16(19-13(2)20-17(15)21)7-6-14-5-4-9-18-12-14/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,19,20,21)/b7-6+