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

Systemtic Name: ethyl 3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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