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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5OS/c1-7-3-8(2)13(9(15)4-7)20-12(21)6-22-14-18-10(16)5-11(17)19-14/h3-5H,6H2,1-2H3,(H,20,21)(H4,16,17,18,19)