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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(4-bromanylphenoxy)phenyl]ethanamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN5O2S/c19-11-1-5-13(6-2-11)26-14-7-3-12(4-8-14)22-17(25)10-27-18-23-15(20)9-16(21)24-18/h1-9H,10H2,(H,22,25)(H4,20,21,23,24)