2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-9(2)11-6-4-5-10(3)15(11)21-14(22)8-23-16-19-12(17)7-13(18)20-16/h4-7,9H,8H2,1-3H3,(H,21,22)(H4,17,18,19,20)