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

Systemtic Name: methyl 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-methyl-6-(p-phenetylthiocarbamoylamino)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S2/c1-4-24-13-7-5-12(6-8-13)19-16(25)20-14-9-11(2)18-17(21-14)26-10-15(22)23-3/h5-9H,4,10H2,1-3H3,(H2,18,19,20,21,25)