2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

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