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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-bromophenyl)ethanamide Openeye Name: N-(3-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-bromophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-bromophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H12BrN5OS MolecularWeight: 354.22558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN5OS/c13-7-2-1-3-8(4-7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18)