3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H19N5OS/c1-9-3-4-10(2)11(7-9)18-14(21)5-6-22-15-19-12(16)8-13(17)20-15/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)(H4,16,17,19,20)