(2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-bromophenyl)propan-1-one

Systemtic Name: (2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-bromophenyl)propan-1-one Openeye Name: (2R)-1-(4-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(4-bromophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-propanone IUPAC Name: (2R)-1-(4-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-bromophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propan-1-one Formula: C13H13BrN4OS MolecularWeight: 353.23752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H13BrN4OS/c1-7(12(19)8-2-4-9(14)5-3-8)20-13-17-10(15)6-11(16)18-13/h2-7H,1H3,(H4,15,16,17,18)/t7-/m1/s1