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

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-3-5-12-9-15(20)18-16(17-12)22-10-14(19)11-6-4-7-13(8-11)21-2/h4,6-9H,3,5,10H2,1-2H3,(H,17,18,20)