dimethyl 5-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H17N5O5S MolecularWeight: 391.40168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O5S/c1-25-14(23)8-3-9(15(24)26-2)5-10(4-8)19-13(22)7-27-16-20-11(17)6-12(18)21-16/h3-6H,7H2,1-2H3,(H,19,22)(H4,17,18,20,21)