2,4-dimethyl-6-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2,4-dimethyl-6-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2,4-dimethyl-6-(4-oxo-4-phenyl-butyl)sulfanyl-pyrimidine-5-carbonitrile CAS Name: 2,4-dimethyl-6-[(4-oxo-4-phenylbutyl)thio]-5-pyrimidinecarbonitrile IUPAC Name: 2,4-dimethyl-6-(4-oxo-4-phenylbutyl)sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[(4-keto-4-phenyl-butyl)thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H17N3OS/c1-12-15(11-18)17(20-13(2)19-12)22-10-6-9-16(21)14-7-4-3-5-8-14/h3-5,7-8H,6,9-10H2,1-2H3