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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C18H21N5OS/c1-4-11(2)14-7-5-6-8-15(14)22-17(24)12(3)25-18-21-10-13(9-19)16(20)23-18/h5-8,10-12H,4H2,1-3H3,(H,22,24)(H2,20,21,23)