2-[2-(1-methylpyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(1-methylpyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-methyl-3-pyrrolyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(1-methylpyrrol-3-yl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-3-4-11-7-13(19)16-14(15-11)20-9-12(18)10-5-6-17(2)8-10/h5-8H,3-4,9H2,1-2H3,(H,15,16,19)