2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2,4-dimethylphenyl)propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C16H17N5OS/c1-9-4-5-13(10(2)6-9)20-15(22)11(3)23-16-19-8-12(7-17)14(18)21-16/h4-6,8,11H,1-3H3,(H,20,22)(H2,18,19,21)