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

Systemtic Name: methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-[(4-butoxyphenyl)thiocarbamoylamino]-6-methyl-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)OC

InChI

InChI=1S/C19H24N4O3S2/c1-4-5-10-26-15-8-6-14(7-9-15)21-18(27)22-16-11-13(2)20-19(23-16)28-12-17(24)25-3/h6-9,11H,4-5,10,12H2,1-3H3,(H2,20,21,22,23,27)