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

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-methyl-6-(p-phenetylthiocarbamoylamino)pyrimidin-2-yl]thio]acetic acid Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)O

InChI

InChI=1S/C16H18N4O3S2/c1-3-23-12-6-4-11(5-7-12)18-15(24)19-13-8-10(2)17-16(20-13)25-9-14(21)22/h4-8H,3,9H2,1-2H3,(H,21,22)(H2,17,18,19,20,24)