(phenylmethyl) 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c14-10-6-11(15)17-13(16-10)20-8-12(18)19-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H4,14,15,16,17)