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

Systemtic Name: 2-[2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C18H20N4O7S/c1-4-29-17(26)10-7-20-18(22-15(10)19)30-8-14(23)21-11-6-13(28-3)12(27-2)5-9(11)16(24)25/h5-7H,4,8H2,1-3H3,(H,21,23)(H,24,25)(H2,19,20,22)