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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H16BrN5OS MolecularWeight: 382.27874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN5OS/c1-7-3-4-10(9(15)5-7)18-13(21)8(2)22-14-19-11(16)6-12(17)20-14/h3-6,8H,1-2H3,(H,18,21)(H4,16,17,19,20)