2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C17H21N3O3S/c1-5-6-12-7-14(23)20-17(19-12)24-8-13(22)16-9(2)15(11(4)21)10(3)18-16/h7,18H,5-6,8H2,1-4H3,(H,19,20,23)