2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methyl-1-phenyl-butyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C18H21N5OS/c1-12(2)8-15(13-6-4-3-5-7-13)22-16(24)11-25-18-21-10-14(9-19)17(20)23-18/h3-7,10,12,15H,8,11H2,1-2H3,(H,22,24)(H2,20,21,23)