5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-(3-phenylpropyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(3-phenylpropyl)-2-thioxo-1H-pyrimidin-4-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CNC(=S)NC2=O

InChI

InChI=1S/C13H14N2OS/c16-12-11(9-14-13(17)15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,14,15,16,17)