2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-2-6-13-10-16(21)19-17(18-13)23-11-14-9-15(22-20-14)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,18,19,21)