2-methylsulfanyl-4-oxidanylidene-6-(3-phenylmethoxyphenyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-6-(3-phenylmethoxyphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-benzyloxyphenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-oxo-6-(3-phenylmethoxyphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-methylsulfanyl-4-oxo-6-(3-phenylmethoxyphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-benzoxyphenyl)-4-keto-2-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H15N3O2S/c1-25-19-21-17(16(11-20)18(23)22-19)14-8-5-9-15(10-14)24-12-13-6-3-2-4-7-13/h2-10H,12H2,1H3,(H,21,22,23)