2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1-phenylethyl)propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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