2-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-5-6-12-9-16(22)20-18(19-12)26-10-13(21)11-7-14(23-2)17(25-4)15(8-11)24-3/h7-9H,5-6,10H2,1-4H3,(H,19,20,22)