4-azanyl-2-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-9-5-10(2)12(4)15(11(9)3)14(22)8-23-17-20-7-13(6-18)16(19)21-17/h5,7H,8H2,1-4H3,(H2,19,20,21)