6-propyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O2S/c1-2-5-16-12-17(23)21-19(20-16)25-13-14-6-8-15(9-7-14)18(24)22-10-3-4-11-22/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,21,23)