4-azanyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)C)C

InChI

InChI=1S/C16H16N4OS/c1-9-4-11(3)13(5-10(9)2)14(21)8-22-16-19-7-12(6-17)15(18)20-16/h4-5,7H,8H2,1-3H3,(H2,18,19,20)