3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-ethylphenyl)propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-ethylphenyl)propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H17N5OS/c1-2-11-5-3-4-6-13(11)20-14(22)7-8-23-16-19-10-12(9-17)15(18)21-16/h3-6,10H,2,7-8H2,1H3,(H,20,22)(H2,18,19,21)