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

Systemtic Name: 2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2-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=C2OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CC=C2OC

InChI

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