5-methyl-2-methylsulfanyl-3-[(E)-4-pyrrolidin-1-ylbut-3-enyl]pyrimidin-4-one

Systemtic Name: 5-methyl-2-methylsulfanyl-3-[(E)-4-pyrrolidin-1-ylbut-3-enyl]pyrimidin-4-one Openeye Name: 5-methyl-2-methylsulfanyl-3-[(E)-4-pyrrolidin-1-ylbut-3-enyl]pyrimidin-4-one CAS Name: 5-methyl-2-(methylthio)-3-[(E)-4-(1-pyrrolidinyl)but-3-enyl]-4-pyrimidinone IUPAC Name: 5-methyl-2-methylsulfanyl-3-[(E)-4-pyrrolidin-1-ylbut-3-enyl]pyrimidin-4-one Traditional Name: 5-methyl-2-(methylthio)-3-[(E)-4-pyrrolidinobut-3-enyl]pyrimidin-4-one Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N(C1=O)CCC=CN2CCCC2)SC

Isomeric SMILES

CC1=CN=C(N(C1=O)CC/C=C/N2CCCC2)SC

InChI

InChI=1S/C14H21N3OS/c1-12-11-15-14(19-2)17(13(12)18)10-6-5-9-16-7-3-4-8-16/h5,9,11H,3-4,6-8,10H2,1-2H3/b9-5+