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

Systemtic Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(1-phenyl-4-pyrazolyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(1-phenylpyrazol-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-2-6-14-9-16(22)20-17(19-14)23-12-13-10-18-21(11-13)15-7-4-3-5-8-15/h3-5,7-11H,2,6,12H2,1H3,(H,19,20,22)