2-[(2-phenoxyphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-phenoxyphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-phenoxyphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2-phenoxyphenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-phenoxyphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-phenoxybenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S/c1-2-8-16-13-19(23)22-20(21-16)25-14-15-9-6-7-12-18(15)24-17-10-4-3-5-11-17/h3-7,9-13H,2,8,14H2,1H3,(H,21,22,23)