2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-methyl-amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-methyl-amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C17H17BrN6O2S MolecularWeight: 449.32488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H17BrN6O2S/c1-10-5-12(18)3-4-13(10)22-14(25)8-24(2)15(26)9-27-17-21-7-11(6-19)16(20)23-17/h3-5,7H,8-9H2,1-2H3,(H,22,25)(H2,20,21,23)