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

Systemtic Name: 6-propyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[(4-pyrazol-1-ylbenzyl)thio]-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=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)N3C=CC=N3

InChI

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