2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(4-isobutylphenyl)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[1-(4-isobutylphenyl)ethyl]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C19H23N5OS/c1-12(2)8-14-4-6-15(7-5-14)13(3)23-17(25)11-26-19-22-10-16(9-20)18(21)24-19/h4-7,10,12-13H,8,11H2,1-3H3,(H,23,25)(H2,21,22,24)