5-(4-phenylbutyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-(4-phenylbutyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-(4-phenylbutyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-(4-phenylbutyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-(4-phenylbutyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(4-phenylbutyl)-2-thioxo-1H-pyrimidin-4-one Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=CNC(=S)NC2=O

InChI

InChI=1S/C14H16N2OS/c17-13-12(10-15-14(18)16-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16,17,18)