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

Systemtic Name: butyl 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 2-[4-[(4-ethoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-methyl-6-(p-phenetylthiocarbamoylamino)pyrimidin-2-yl]thio]acetic acid butyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=CC(=N1)NC(=S)NC2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=CC(=N1)NC(=S)NC2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C20H26N4O3S2/c1-4-6-11-27-18(25)13-29-20-21-14(3)12-17(24-20)23-19(28)22-15-7-9-16(10-8-15)26-5-2/h7-10,12H,4-6,11,13H2,1-3H3,(H2,21,22,23,24,28)