2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C13H14N4O2S MolecularWeight: 290.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14N4O2S/c1-19-9-4-2-8(3-5-9)10(18)7-20-13-16-11(14)6-12(15)17-13/h2-6H,7H2,1H3,(H4,14,15,16,17)