4-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-amino-4-keto-5-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C18H14N4OS/c19-10-12-6-8-13(9-7-12)11-24-18-21-16(20)15(17(23)22-18)14-4-2-1-3-5-14/h1-9H,11H2,(H3,20,21,22,23)