2-[4-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-[(4-methoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-[(4-methoxyphenyl)thiocarbamoylamino]-6-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3S2/c1-9-7-12(19-15(16-9)24-8-13(20)21)18-14(23)17-10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,23)