3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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