methyl 3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H15N5O3S MolecularWeight: 333.3656

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S/c1-22-13(21)8-3-2-4-9(5-8)17-12(20)7-23-14-18-10(15)6-11(16)19-14/h2-6H,7H2,1H3,(H,17,20)(H4,15,16,18,19)