Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-carboxy-3-methylsulfinyl-propyl]amino]-5-oxo-pentanoic acid
CAS Name: (4S)-4-amino-5-[[(1S)-1-carboxy-3-methylsulfinylpropyl]amino]-5-oxopentanoic acid
IUPAC NAME: (4S)-4-amino-5-[[(1S)-1-carboxy-3-methylsulfinylpropyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H18N2O6S
MOLECULAR WEIGHT: 294.32472
SMILES: CS(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H20FN3O3
MOLECULAR WEIGHT: 381.400203
SMILES: C[C@H]1C2=CC(=CN2CCN1)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H20FN3O3
MOLECULAR WEIGHT: 381.400203
SMILES: C[C@@H]1C2=CC(=CN2CCN1)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
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MOLECULAR FORMULA: C21H20FN3O4
MOLECULAR WEIGHT: 397.399603
SMILES: C[C@H]1CN2C=C(C=C2CN1)C3=C(C=C4C5=C3OC[C@@H](N5C=C(C4=O)C(=O)O)C)F
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MOLECULAR FORMULA: C21H20FN3O4
MOLECULAR WEIGHT: 397.399603
SMILES: C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4=CN5CCN[C@H](C5=C4)C)F)C(=O)O
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C20H19FN4O3
MOLECULAR WEIGHT: 382.388263
SMILES: C[C@H]1CN2C=C(C=C2CN1)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C20H19FN4O3
MOLECULAR WEIGHT: 382.388263
SMILES: C[C@H]1C2=CC(=CN2CCN1)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H12Br2ClN3O2
MOLECULAR WEIGHT: 485.55708
SMILES: CC1=C(C=CC(=C1)Cl)OCC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H10Br3N3O2
MOLECULAR WEIGHT: 515.9815
SMILES: C1=CC(=CC=C1OCC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)Br
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(5-bromo-7-methyl-indan-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(5-bromanyl-7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H16Br3N3O2
MOLECULAR WEIGHT: 570.07194
SMILES: CC1=CC(=C(C2=C1CCC2)OCC3=NNC(=C4C=C(C(=O)C(=C4)Br)Br)C=N3)Br
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H14Br2ClN3O2
MOLECULAR WEIGHT: 499.58366
SMILES: CC1=CC(=CC(=C1Cl)C)OCC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H17Cl2N3O3
MOLECULAR WEIGHT: 418.27328
SMILES: CC1(CC2=C(O1)C(=CC=C2)OCC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3)C
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Product OPENEYE NAME: 2,6-dibromo-4-[3-(indan-5-yloxymethyl)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H15Br2N3O2
MOLECULAR WEIGHT: 477.1493
SMILES: C1CC2=C(C1)C=C(C=C2)OCC3=NNC(=C4C=C(C(=O)C(=C4)Br)Br)C=N3
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(7-methylindan-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H17Br2N3O2
MOLECULAR WEIGHT: 491.17588
SMILES: CC1=C2CCCC2=C(C=C1)OCC3=NNC(=C4C=C(C(=O)C(=C4)Br)Br)C=N3
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Product OPENEYE NAME: (5E)-3,4-dibromo-5-(bromomethylene)furan-2-one
CAS Name: (5E)-3,4-dibromo-5-(bromomethylidene)-2-furanone
IUPAC NAME: (5E)-3,4-dibromo-5-(bromomethylidene)furan-2-one
SYSTEMATIC NAME: (5E)-3,4-bis(bromanyl)-5-(bromanylmethylidene)furan-2-one
MOLECULAR FORMULA: C5HBr3O2
MOLECULAR WEIGHT: 332.77224
SMILES: C(=C/1\C(=C(C(=O)O1)Br)Br)\Br
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Product OPENEYE NAME: [(4aR,6R,7R,7aR)-6-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-hydroxy-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl isopropyl carbonate
CAS Name: carbonic acid [(4aR,6R,7R,7aR)-6-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-6-cyano-7-hydroxy-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-2-yl]oxymethyl propan-2-yl ester
IUPAC NAME: [(4aR,6R,7R,7aR)-6-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-hydroxy-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate
SYSTEMATIC NAME: [(4aR,6R,7R,7aR)-6-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-methyl-7-oxidanyl-2-oxidanylidene-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl propan-2-yl carbonate
MOLECULAR FORMULA: C17H21N6O9P
MOLECULAR WEIGHT: 484.357201
SMILES: CC(C)OC(=O)OCOP1(=O)OC[C@@H]2[C@@H](O1)[C@@]([C@](O2)(C#N)C3=CN=C4N3N=CN=C4N)(C)O
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