1-[3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-8(19)9-3-4-11(20-2)10(5-9)7-21-14-17-12(15)6-13(16)18-14/h3-6H,7H2,1-2H3,(H4,15,16,17,18)