3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(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)CCSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)C

InChI

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