2-[(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(6-hydroxy-4-oxo-1-propyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(6-hydroxy-4-oxo-1-propyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(6-hydroxy-4-oxo-1-propylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(6-hydroxy-4-keto-1-propyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC2=CC=CC=C2C#N)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC2=CC=CC=C2C#N)O

InChI

InChI=1S/C15H15N3O2S/c1-2-7-18-14(20)8-13(19)17-15(18)21-10-12-6-4-3-5-11(12)9-16/h3-6,8,20H,2,7,10H2,1H3