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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

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