methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H17N5O3S/c1-20(10-6-4-3-5-9(10)14(22)23-2)13(21)8-24-15-18-11(16)7-12(17)19-15/h3-7H,8H2,1-2H3,(H4,16,17,18,19)