CAS RN: 95574-36-0
CAS Name: (2S)-1-(2-amino-1-oxoethyl)-N-[(2S)-4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-(2-aminoacetyl)-N-[(1S)-3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-(2-aminoacetyl)-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-(2-azanylethanoyl)-N-[(2S)-4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H28N4O3S
MOLECULAR WEIGHT: 428.54772
SMILES: CSCC[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@@H]3CCCN3C(=O)CN
Structure:
CAS RN: 95574-31-5
CAS Name: 10-(3-aminopropyl)-8-chlorophenothiazine-2,3-dione
OPENEYE Name: 10-(3-aminopropyl)-8-chloro-phenothiazine-2,3-dione
IUPAC Name: 10-(3-aminopropyl)-8-chlorophenothiazine-2,3-dione
SYSTEMATIC NAME: 10-(3-azanylpropyl)-8-chloranyl-phenothiazine-2,3-dione
MOLECULAR FORMULA: C15H13ClN2O2S
MOLECULAR WEIGHT: 320.79392
SMILES: C1=CC2=C(C=C1Cl)N(C3=CC(=O)C(=O)C=C3S2)CCCN
Structure:
CAS RN: 133470-97-0
CAS Name: 5-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-pyrazolo[3,4-e][1,3]oxazin-7-one
OPENEYE Name: 5-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazin-7-one
IUPAC Name: 5-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazin-7-one
SYSTEMATIC NAME: 5-azanyl-3-[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazin-7-one
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C([C@@H]1[C@H]([C@H](C(O1)C2=C3C(=NN2)C(=O)N=C(O3)N)O)O)O
Structure:
CAS RN: 133220-91-4
CAS Name: 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]-4-pyridazinone
OPENEYE Name: 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
IUPAC Name: 3-amino-6-methyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
SYSTEMATIC NAME: 3-azanyl-6-methyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
MOLECULAR FORMULA: C12H10F3N3O
MOLECULAR WEIGHT: 269.22251
SMILES: CC1=CC(=O)C(=NN1C2=CC=C(C=C2)C(F)(F)F)N
Structure:
CAS RN: 133086-87-0
CAS Name: (2R)-4-[2,5-bis(hydroxymethyl)-1-pyrrolyl]-2,3-dimethyl-2H-furan-5-one
OPENEYE Name: (2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one
IUPAC Name: (2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one
SYSTEMATIC NAME: (2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: C[C@@H]1C(=C(C(=O)O1)N2C(=CC=C2CO)CO)C
Structure:
CAS RN: 133086-78-9
CAS Name: 3,8-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione
OPENEYE Name: 3,8-dihydroxy-1,2-dimethoxy-7-methyl-anthracene-9,10-dione
IUPAC Name: 3,8-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione
SYSTEMATIC NAME: 1,2-dimethoxy-7-methyl-3,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)OC)OC)O)O
Structure:
CAS RN: 133083-20-2
CAS Name: (2R)-6-[[(2R)-4-amino-2-hydroxybutyl]amino]-2-[(3-amino-1-oxopropyl)amino]hexanoic acid
OPENEYE Name: (2R)-6-[[(2R)-4-amino-2-hydroxy-butyl]amino]-2-(3-aminopropanoylamino)hexanoic acid
IUPAC Name: (2R)-6-[[(2R)-4-amino-2-hydroxybutyl]amino]-2-(3-aminopropanoylamino)hexanoic acid
SYSTEMATIC NAME: (2R)-6-[[(2R)-4-azanyl-2-oxidanyl-butyl]amino]-2-(3-azanylpropanoylamino)hexanoic acid
MOLECULAR FORMULA: C13H28N4O4
MOLECULAR WEIGHT: 304.38582
SMILES: C(CCNC[C@@H](CCN)O)C[C@H](C(=O)O)NC(=O)CCN
Structure:
CAS RN: 133081-27-3
CAS Name: 6-hydrazinyl-3-pyridinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester hydrochloride
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 6-hydrazinopyridine-3-carboxylate hydrochloride
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-hydrazinylpyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-diazanylpyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C10H11ClN4O4
MOLECULAR WEIGHT: 286.67174
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CN=C(C=C2)NN.Cl
Structure:
CAS RN: 132975-02-1
CAS Name: N,N-dimethylcarbamic acid (1-methyl-3,6-dihydro-2H-pyridin-5-yl) ester hydrobromide
OPENEYE Name: (1-methyl-3,6-dihydro-2H-pyridin-5-yl) N,N-dimethylcarbamate hydrobromide
IUPAC Name: (1-methyl-3,6-dihydro-2H-pyridin-5-yl) N,N-dimethylcarbamate hydrobromide
SYSTEMATIC NAME: (1-methyl-3,6-dihydro-2H-pyridin-5-yl) N,N-dimethylcarbamate hydrobromide
MOLECULAR FORMULA: C9H17BrN2O2
MOLECULAR WEIGHT: 265.14748
SMILES: CN1CCC=C(C1)OC(=O)N(C)C.Br
Structure:
CAS RN: 132958-66-8
CAS Name: 2-amino-4-chloro-3-hydroxybutanoic acid
OPENEYE Name: 2-amino-4-chloro-3-hydroxy-butanoic acid
IUPAC Name: 2-amino-4-chloro-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C4H8ClNO3
MOLECULAR WEIGHT: 153.56422
SMILES: C(C(C(C(=O)O)N)O)Cl
Structure:
CAS RN: 132928-46-2
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3,4-dihydroisoquinoline hydrochloride
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3,4-dihydroisoquinoline hydrochloride
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3,4-dihydroisoquinoline hydrochloride
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3,4-dihydroisoquinoline hydrochloride
MOLECULAR FORMULA: C20H24ClNO2
MOLECULAR WEIGHT: 345.86306
SMILES: CC1=CC2=C(C=C1)C(=NCC2)CCC3=CC(=C(C=C3)OC)OC.Cl
Structure:
CAS RN: 132899-06-0
CAS Name: 9-hydroxy-7-methoxy-3-methyl-1H-benzo[g][2]benzopyran-5,10-dione
OPENEYE Name: 9-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
IUPAC Name: 9-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
SYSTEMATIC NAME: 7-methoxy-3-methyl-9-oxidanyl-1H-benzo[g]isochromene-5,10-dione
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: CC1=CC2=C(CO1)C(=O)C3=C(C=C(C=C3C2=O)OC)O
Structure:
CAS RN: 132899-05-9
CAS Name: 3,9-dihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g][2]benzopyran-5,10-dione
OPENEYE Name: 3,9-dihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
IUPAC Name: 3,9-dihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
SYSTEMATIC NAME: 7-methoxy-3-methyl-3,9-bis(oxidanyl)-1,4-dihydrobenzo[g]isochromene-5,10-dione
MOLECULAR FORMULA: C15H14O6
MOLECULAR WEIGHT: 290.26806
SMILES: CC1(CC2=C(CO1)C(=O)C3=C(C=C(C=C3C2=O)OC)O)O
Structure:
CAS RN: 132899-04-8
CAS Name: 7,9-dihydroxy-3-methyl-1H-benzo[g][2]benzopyran-5,10-dione
OPENEYE Name: 7,9-dihydroxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
IUPAC Name: 7,9-dihydroxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
SYSTEMATIC NAME: 3-methyl-7,9-bis(oxidanyl)-1H-benzo[g]isochromene-5,10-dione
MOLECULAR FORMULA: C14H10O5
MOLECULAR WEIGHT: 258.2262
SMILES: CC1=CC2=C(CO1)C(=O)C3=C(C=C(C=C3C2=O)O)O
Structure:
CAS RN: 132895-75-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H19Cl2N
MOLECULAR WEIGHT: 272.21336
SMILES: CN1CCC2=C(C=CC3=C2C(C1)CCC3)Cl.Cl
Structure:
CAS RN: 132884-69-6
CAS Name: sulfuric acid [N-acetyl-4-(4-fluorophenyl)anilino] ester
OPENEYE Name: [N-acetyl-4-(4-fluorophenyl)anilino] hydrogen sulfate
IUPAC Name: [N-acetyl-4-(4-fluorophenyl)anilino] hydrogen sulfate
SYSTEMATIC NAME: [ethanoyl-[4-(4-fluorophenyl)phenyl]amino] hydrogen sulfate
MOLECULAR FORMULA: C14H12FNO5S
MOLECULAR WEIGHT: 325.312183
SMILES: CC(=O)N(C1=CC=C(C=C1)C2=CC=C(C=C2)F)OS(=O)(=O)O
Structure:
CAS RN: 132880-13-8
CAS Name: 2-(N-[2-(acetyloxymethoxy)-2-oxoethyl]-3-methoxyanilino)acetic acid acetyloxymethyl ester
OPENEYE Name: acetoxymethyl 2-(N-[2-(acetoxymethoxy)-2-oxo-ethyl]-3-methoxy-anilino)acetate
IUPAC Name: acetyloxymethyl 2-(N-[2-(acetyloxymethoxy)-2-oxoethyl]-3-methoxyanilino)acetate
SYSTEMATIC NAME: acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]-(3-methoxyphenyl)amino]ethanoate
MOLECULAR FORMULA: C17H21NO9
MOLECULAR WEIGHT: 383.34994
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC(=CC=C1)OC
Structure:
CAS RN: 132832-30-5
CAS Name: 7-[(2S,3R)-3-amino-2-methyl-1-azetidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
OPENEYE Name: 7-[(2S,3R)-3-amino-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC Name: 7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-[(2S,3R)-3-azanyl-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C16H17FN4O3
MOLECULAR WEIGHT: 332.329583
SMILES: C[C@H]1[C@@H](CN1C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
Structure:
CAS RN: 132810-10-7
CAS Name: 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
OPENEYE Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SYSTEMATIC NAME: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
MOLECULAR FORMULA: C23H30FN3
MOLECULAR WEIGHT: 367.502803
SMILES: CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
Structure:
CAS RN: 132766-66-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CN(C)C1CC2=CC=CC3=C2C(=CC=C3)O1
Structure:
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