2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=CC(=N2)N)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=CC(=N2)N)N)OC

InChI

InChI=1S/C15H17N5O5S/c1-24-9-3-7(14(22)23)8(4-10(9)25-2)18-13(21)6-26-15-19-11(16)5-12(17)20-15/h3-5H,6H2,1-2H3,(H,18,21)(H,22,23)(H4,16,17,19,20)