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

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C13H15N3O2S/c1-2-4-9-7-12(18)16-13(15-9)19-8-11(17)10-5-3-6-14-10/h3,5-7,14H,2,4,8H2,1H3,(H,15,16,18)