N-(3-acetamidophenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N6O2S/c1-8(21)17-9-3-2-4-10(5-9)18-13(22)7-23-14-19-11(15)6-12(16)20-14/h2-6H,7H2,1H3,(H,17,21)(H,18,22)(H4,15,16,19,20)