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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C16H21N5OS/c1-4-11-7-5-6-9(2)14(11)21-15(22)10(3)23-16-19-12(17)8-13(18)20-16/h5-8,10H,4H2,1-3H3,(H,21,22)(H4,17,18,19,20)