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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1-phenylbutyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-3-7-15(13-8-5-4-6-9-13)22-17(24)12(2)25-18-21-11-14(10-19)16(20)23-18/h4-6,8-9,11-12,15H,3,7H2,1-2H3,(H,22,24)(H2,20,21,23)