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

Systemtic Name: methyl 4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C15H16N4O3S/c1-9-7-12(16)19-15(17-9)23-8-13(20)18-11-5-3-10(4-6-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,18,20)(H2,16,17,19)