2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O4S2/c1-2-5-15-12-18(24)21-19(20-15)27-13-17(23)14-6-8-16(9-7-14)28(25,26)22-10-3-4-11-22/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,21,24)