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

Systemtic Name: 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C13H12N5O3S- MolecularWeight: 318.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H13N5O3S/c14-9-5-10(15)18-13(17-9)22-6-11(19)16-8-3-1-7(2-4-8)12(20)21/h1-5H,6H2,(H,16,19)(H,20,21)(H4,14,15,17,18)/p-1