CAS RN: 134664-54-3
CAS Name: 2-(1,5-dihydroxyhexyl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione
OPENEYE Name: 2-(1,5-dihydroxyhexyl)-1,3,6,8-tetrahydroxy-anthracene-9,10-dione
IUPAC Name: 2-(1,5-dihydroxyhexyl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 2-[1,5-bis(oxidanyl)hexyl]-1,3,6,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C20H20O8
MOLECULAR WEIGHT: 388.368
SMILES: CC(CCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O)O)O
Structure:
CAS RN: 134612-80-9
CAS Name: (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
OPENEYE Name: (4-hydroxy-3-methoxy-5-nitro-phenyl)-(p-tolyl)methanone
IUPAC Name: (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: (3-methoxy-5-nitro-4-oxidanyl-phenyl)-(4-methylphenyl)methanone
MOLECULAR FORMULA: C15H13NO5
MOLECULAR WEIGHT: 287.26742
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
Structure:
CAS RN: 134555-14-9
CAS Name: (2R)-2-amino-3-(2-pyridinyldisulfanyl)propanehydrazide
OPENEYE Name: (2R)-2-amino-3-(2-pyridyldisulfanyl)propanehydrazide
IUPAC Name: (2R)-2-amino-3-(pyridin-2-yldisulfanyl)propanehydrazide
SYSTEMATIC NAME: (2R)-2-azanyl-3-(pyridin-2-yldisulfanyl)propanehydrazide
MOLECULAR FORMULA: C8H12N4OS2
MOLECULAR WEIGHT: 244.33708
SMILES: C1=CC=NC(=C1)SSC[C@@H](C(=O)NN)N
Structure:
CAS RN: 134507-63-4
CAS Name: (2R,3R,4S,5S,6R)-2-(4-azidophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-(4-azidophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-(4-azidophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-(4-azidophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: C1=CC(=CC=C1N=[N+]=[N-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 134507-62-3
CAS Name: (1S,3S,4R,5R)-3-[(4-fluorophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (1S,3S,4R,5R)-3-(4-fluorophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C17H20FNO4
MOLECULAR WEIGHT: 321.343403
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=C(C=C3)F)C(=O)OC
Structure:
CAS RN: 134476-36-1
CAS Name: 1-ethylphenoxathiine 10,10-dioxide
OPENEYE Name: 1-ethylphenoxathiine 10,10-dioxide
IUPAC Name: 1-ethylphenoxathiine 10,10-dioxide
SYSTEMATIC NAME: 1-ethylphenoxathiine 10,10-dioxide
MOLECULAR FORMULA: C14H12O3S
MOLECULAR WEIGHT: 260.30828
SMILES: CCC1=C2C(=CC=C1)OC3=CC=CC=C3S2(=O)=O
Structure:
CAS RN: 134381-43-4
CAS Name: 3-[(2-amino-2-carboxyethyl)thio]-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: 3-(2-amino-2-carboxy-ethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: 3-(2-amino-2-carboxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C9H13N3O4S
MOLECULAR WEIGHT: 259.28222
SMILES: C1=C(NC=N1)C(CC(=O)O)SCC(C(=O)O)N
Structure:
CAS RN: 134336-99-5
CAS Name: 3-[3-(4-phenyl-1-piperazinyl)propyl]-2-oxazolo[4,5-b]pyridinone
OPENEYE Name: 3-[3-(4-phenylpiperazin-1-yl)propyl]oxazolo[4,5-b]pyridin-2-one
IUPAC Name: 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C19H22N4O2
MOLECULAR WEIGHT: 338.40358
SMILES: C1CN(CCN1CCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4
Structure:
CAS RN: 134335-40-3
CAS Name: 2-[[[(5-nitro-2-thiazolyl)amino]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(5-nitrothiazol-2-yl)carbamoylamino]acetic acid
IUPAC Name: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoylamino]acetic acid
SYSTEMATIC NAME: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoylamino]ethanoic acid
MOLECULAR FORMULA: C6H6N4O5S
MOLECULAR WEIGHT: 246.20064
SMILES: C1=C(SC(=N1)NC(=O)NCC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 134333-72-5
CAS Name: 5-(5-chloro-2-thiophenyl)-1-[(4S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(5-chloro-2-thienyl)-1-[(4S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(5-chlorothiophen-2-yl)-1-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(5-chloranylthiophen-2-yl)-1-[(4S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13ClN2O5S
MOLECULAR WEIGHT: 344.77072
SMILES: C1[C@@H](C(OC1N2C=C(C(=O)NC2=O)C3=CC=C(S3)Cl)CO)O
Structure:
CAS RN: 134333-70-3
CAS Name: 5-(5-bromo-2-thiophenyl)-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(5-bromo-2-thienyl)-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(5-bromothiophen-2-yl)-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(5-bromanylthiophen-2-yl)-1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13BrN2O5S
MOLECULAR WEIGHT: 389.22172
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)C3=CC=C(S3)Br)CO)O
Structure:
CAS RN: 134283-03-7
CAS Name: (2R)-2-[(2-carboxy-1-oxoethyl)amino]-3-(phenylmethylthio)propanoic acid
OPENEYE Name: (2R)-3-benzylsulfanyl-2-[(2-carboxyacetyl)amino]propanoic acid
IUPAC Name: (2R)-3-benzylsulfanyl-2-[(2-carboxyacetyl)amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid
MOLECULAR FORMULA: C13H15NO5S
MOLECULAR WEIGHT: 297.3269
SMILES: C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CC(=O)O
Structure:
CAS RN: 134257-65-1
CAS Name: 4-(2-aminoethylamino)-1-thiophen-2-yl-1-butanone
OPENEYE Name: 4-(2-aminoethylamino)-1-(2-thienyl)butan-1-one
IUPAC Name: 4-(2-aminoethylamino)-1-thiophen-2-ylbutan-1-one
SYSTEMATIC NAME: 4-(2-azanylethylamino)-1-thiophen-2-yl-butan-1-one
MOLECULAR FORMULA: C10H16N2OS
MOLECULAR WEIGHT: 212.31184
SMILES: C1=CSC(=C1)C(=O)CCCNCCN
Structure:
CAS RN: 134249-05-1
CAS Name: (2R,3S)-5-[6-amino-8-(2-pyrenylamino)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3S)-5-[6-amino-8-(pyren-2-ylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3S)-5-[6-amino-8-(pyren-2-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3S)-5-[6-azanyl-8-(pyren-2-ylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C26H22N6O3
MOLECULAR WEIGHT: 466.49128
SMILES: C1[C@@H]([C@H](OC1N2C3=C(C(=NC=N3)N)N=C2NC4=CC5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)CO)O
Structure:
CAS RN: 134249-04-0
CAS Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(2-pyrenylamino)-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(pyren-2-ylamino)-3H-purin-6-one
IUPAC Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(pyren-2-ylamino)-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(pyren-2-ylamino)-3H-purin-6-one
MOLECULAR FORMULA: C26H22N6O4
MOLECULAR WEIGHT: 482.49068
SMILES: C1[C@@H]([C@H](OC1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=CC5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)CO)O
Structure:
CAS RN: 134166-77-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H16N2O5S
MOLECULAR WEIGHT: 276.30944
SMILES: C[C@H]1C(=O)N2CCS(=O)(=O)N3CCC[C@H]3[C@]2(O1)O
Structure:
CAS RN: 4602-05-5
CAS Name: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,6-trihydroxy-5-methyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanamide
OPENEYE Name: (2R,3R,4R,5R)-2,3,6-trihydroxy-5-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-N-[(4-vinylphenyl)methyl]hexanamide
IUPAC Name: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,6-trihydroxy-5-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-2,3,6-tris(oxidanyl)hexanamide
MOLECULAR FORMULA: C22H33NO10
MOLECULAR WEIGHT: 471.49812
SMILES: C[C@H](CO)[C@H]([C@@H]([C@H](C(=O)NCC1=CC=C(C=C1)C=C)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 96910-25-7
CAS Name: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,6-trihydroxy-5-methyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanamide
OPENEYE Name: (2R,3R,4R,5R)-2,3,6-trihydroxy-5-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-N-[(4-vinylphenyl)methyl]hexanamide
IUPAC Name: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,6-trihydroxy-5-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5R)-N-[(4-ethenylphenyl)methyl]-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-2,3,6-tris(oxidanyl)hexanamide
MOLECULAR FORMULA: C22H33NO10
MOLECULAR WEIGHT: 471.49812
SMILES: C[C@H](CO)[C@H]([C@@H]([C@H](C(=O)NCC1=CC=C(C=C1)C=C)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 4601-06-3
CAS Name: [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydr
OPENEYE Name: [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-t
IUPAC Name: [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydr
SYSTEMATIC NAME: [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]
MOLECULAR FORMULA: C40H61N16O24P5
MOLECULAR WEIGHT: 1304.873945
SMILES: CCCCCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C8N=CN=C9N)O)O)O)O
Structure:
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