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Table 7 IUPAC name predictions for organic molecules of increasing complexity

From: Translating the InChI: adapting neural machine translation to predict IUPAC names from a chemical identifier

IUPAC name

Predicted IUPAC name

Predicted IUPAC name (Rajan)

Predicted IUPAC name (Krasnov)a

Methane

Methane

Ethane

Methanidylmethane

Methanol

Methanol

2-methoxyethan-1-ol

Hydroperoxymethane

3-ethyl-1H-indole

3-ethyl-1H-indole

3-ethyl-1H-indole

3-ethyl-1H-indole

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

2-amino-3-(1H-indol-3-yl)propanoicacid

(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

2-[2-(2-amino-3-methylbutanamido)acetamido]-3-hydroxypropanoicacid

(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

1,1-dicyclohexylethyl 5,6-ditert-butylbicyclo[2.2.1]heptane-2-carboxylate

1,1-dicyclohexylethyl 5,6-ditert-butylbicyclo[2.2.1]heptane-2-carboxylate

1-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl)-2-yl

1,1-dicyclohexylethyl 5,6-ditert-butylbicyclo[2.2.1]heptane-2-carboxylate

4-[2-[[(2R)-2-hydroxycyclopentyl]amino]-8-(2,3,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide

4-[2-[[(2R)-2-hydroxycyclopentyl]amino]-8-(2,3,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide

2–2-yl)-8-yl)-8-carboximidoyl-8-yl)-8-carboximidoyl-8-yl)-8-carboximidoyl-8-yl)…

4-[2-[[(2R)-2-hydroxycyclopentyl]amino]-8-(2,3,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide

  1. aPredicted through web interface [46]