CAS RN: 26400-10-2
CAS Name: (2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylthio)-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C13H13NO6S2
MOLECULAR WEIGHT: 343.37542
SMILES: C1=CC=C2C(=C1)N=C(S2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
Structure:
CAS RN: 16206-77-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19NO3
MOLECULAR WEIGHT: 285.33766
SMILES: CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
Structure:
CAS RN: 59295-47-5
CAS Name: (3Z)-5-acetyl-3-[1-(hexylamino)ethylidene]-6-hydroxypyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-3-[1-(hexylamino)ethylidene]-6-hydroxy-pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-3-[1-(hexylamino)ethylidene]-6-hydroxypyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-3-[1-(hexylamino)ethylidene]-6-oxidanyl-pyran-2,4-dione
MOLECULAR FORMULA: C15H21NO5
MOLECULAR WEIGHT: 295.33094
SMILES: CCCCCCN/C(=C\1/C(=O)C(=C(OC1=O)O)C(=O)C)/C
Structure:
CAS RN: 57499-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H10O8
MOLECULAR WEIGHT: 330.2458
SMILES: COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)O
Structure:
CAS RN: 56508-10-2
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC Name: [(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C28H24O16
MOLECULAR WEIGHT: 616.48056
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
Structure:
CAS RN: 56317-05-6
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C28H24O15
MOLECULAR WEIGHT: 600.48116
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O
Structure:
CAS RN: 55062-37-8
CAS Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)-9-xanthenone
OPENEYE Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one
IUPAC Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one
SYSTEMATIC NAME: 1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)-8-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C25H28O5
MOLECULAR WEIGHT: 408.48682
SMILES: CC1=CC2=C(C(=C1OCC=C(C)C)CO)C(=O)C3=C(C=CC(=C3O2)CC=C(C)C)O
Structure:
CAS RN: 55812-93-6
CAS Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)-9-xanthenone
OPENEYE Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one
IUPAC Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one
SYSTEMATIC NAME: 1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)-8-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C25H28O5
MOLECULAR WEIGHT: 408.48682
SMILES: CC1=CC2=C(C(=C1OCC=C(C)C)CO)C(=O)C3=C(C=CC(=C3O2)CC=C(C)C)O
Structure:
CAS RN: 55349-81-0
CAS Name: (Z)-1-(carboxymethylamino)-2-diazonioethenolate
OPENEYE Name: (Z)-1-(carboxymethylamino)-2-diazonio-ethenolate
IUPAC Name: (Z)-1-(carboxymethylamino)-2-diazonioethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-(2-hydroxy-2-oxoethylamino)ethenolate
MOLECULAR FORMULA: C4H5N3O3
MOLECULAR WEIGHT: 143.1008
SMILES: C(C(=O)O)N/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 53584-69-3
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-3-[(3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O16
MOLECULAR WEIGHT: 624.54408
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Structure:
CAS RN: 27740-02-9
CAS Name: (2S,3S,4S,5R,6S)-6-[[6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-5-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
Structure:
CAS RN: 22399-73-1
CAS Name: 3,5-dihydroxy-7,8-dimethoxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-7,8-dimethoxy-2-phenyl-chromen-4-one
IUPAC Name: 3,5-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 7,8-dimethoxy-3,5-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=CC=C3)O)OC
Structure:
CAS RN: 22276-99-9
CAS Name: 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
OPENEYE Name: 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5-bromanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C6H5BrN4
MOLECULAR WEIGHT: 213.0347
SMILES: C1=C(C2=C(N1)N=CN=C2N)Br
Structure:
CAS RN: 95065-10-4
CAS Name: 3,5,7-trihydroxy-2-(2-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-(2-hydroxy-4-methoxy-phenyl)chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-(2-hydroxy-4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-methoxy-2-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O7
MOLECULAR WEIGHT: 316.26228
SMILES: COC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Structure:
CAS RN: 94285-21-9
CAS Name: 5,7-dihydroxy-6-methoxy-3-(2-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-6-methoxy-3-(2-methoxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-6-methoxy-3-(2-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-methoxy-3-(2-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=CC=CC=C1C2=COC3=CC(=C(C(=C3C2=O)O)OC)O
Structure:
CAS RN: 92446-27-0
CAS Name: 6,8-dihydroxy-2H-isoquinolin-1-one
OPENEYE Name: 6,8-dihydroxy-2H-isoquinolin-1-one
IUPAC Name: 6,8-dihydroxy-2H-isoquinolin-1-one
SYSTEMATIC NAME: 6,8-bis(oxidanyl)-2H-isoquinolin-1-one
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C1=CNC(=O)C2=C(C=C(C=C21)O)O
Structure:
CAS RN: 92446-24-7
CAS Name: 6,8-dihydroxy-3,4-dimethyl-2H-isoquinolin-1-one
OPENEYE Name: 6,8-dihydroxy-3,4-dimethyl-2H-isoquinolin-1-one
IUPAC Name: 6,8-dihydroxy-3,4-dimethyl-2H-isoquinolin-1-one
SYSTEMATIC NAME: 3,4-dimethyl-6,8-bis(oxidanyl)-2H-isoquinolin-1-one
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1=C(NC(=O)C2=C(C=C(C=C12)O)O)C
Structure:
CAS RN: 91284-25-2
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-[4-(phenylhydrazo)phenyl]imino-6-purinone
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[4-(2-phenylhydrazino)phenyl]imino-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-phenylhydrazinyl)phenyl]iminopurin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[4-(2-phenylhydrazinyl)phenyl]imino-purin-6-one
MOLECULAR FORMULA: C22H22N8O4
MOLECULAR WEIGHT: 462.46128
SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=NC(=NC(=O)C3=NC2=NC4=CC=C(C=C4)NNC5=CC=CC=C5)N)CO)O
Structure:
CAS RN: 91174-16-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CN1CC[C@]23C[C@H]([C@H](C=C2[C@H]1CC4=CC5=C(C=C34)OCO5)O)OC
Structure:
CAS RN: 90706-64-2
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O16
MOLECULAR WEIGHT: 624.54408
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=C(C(=C4C3=O)O)OC)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
Structure:
CAS RN: 89915-54-8
CAS Name: (2S,3R,4S,5R,6R)-3,4-dihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3R,4S,5R,6R)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-oxo-chromen-7-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3R,4S,5R,6R)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C29H32O17
MOLECULAR WEIGHT: 652.55418
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C(=C5)OC)O)OC)O)C(=O)O)O)O)O)O)O
Structure:
CAS RN: 89821-05-6
CAS Name: 7-hydroxy-8-(7-hydroxy-6-methoxy-2-oxo-1-benzopyran-3-yl)-6-methoxy-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-(7-hydroxy-6-methoxy-2-oxo-chromen-3-yl)-6-methoxy-chromen-2-one
IUPAC Name: 7-hydroxy-8-(7-hydroxy-6-methoxy-2-oxochromen-3-yl)-6-methoxychromen-2-one
SYSTEMATIC NAME: 6-methoxy-8-(6-methoxy-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C20H14O8
MOLECULAR WEIGHT: 382.32036
SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)C3=CC4=CC(=C(C=C4OC3=O)O)OC)O
Structure:
CAS RN: 89647-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: CC[C@]12C[C@H]3CCC4(O1)C5([C@H]2N(C3)CC5)C6=CC=CC=C6N4
Structure:
CAS RN: 88704-49-8
CAS Name: (1Z)-6-bromo-1-(2-pyrrolidinylidene)-2H-pyrido[3,4-b]indol-7-one
OPENEYE Name: (1Z)-6-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-7-one
IUPAC Name: (1Z)-6-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-7-one
SYSTEMATIC NAME: (1Z)-6-bromanyl-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-7-one
MOLECULAR FORMULA: C15H12BrN3O
MOLECULAR WEIGHT: 330.17928
SMILES: C1C/C(=C/2\C3=NC4=CC(=O)C(=CC4=C3C=CN2)Br)/NC1
Structure:
CAS RN: 88704-48-7
CAS Name: (1Z)-7-bromo-1-(2-pyrrolidinylidene)-2H-pyrido[3,4-b]indol-6-one
OPENEYE Name: (1Z)-7-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-6-one
IUPAC Name: (1Z)-7-bromo-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-6-one
SYSTEMATIC NAME: (1Z)-7-bromanyl-1-pyrrolidin-2-ylidene-2H-pyrido[3,4-b]indol-6-one
MOLECULAR FORMULA: C15H12BrN3O
MOLECULAR WEIGHT: 330.17928
SMILES: C1C/C(=C/2\C3=C(C=CN2)C4=CC(=O)C(=CC4=N3)Br)/NC1
Structure:
CAS RN: 88524-66-7
CAS Name: 2-[3-[(1S,5R,6S)-5-(2,4-dihydroxyphenyl)-6-[(2,4-dihydroxyphenyl)-oxomethyl]-3-methyl-1-cyclohex-2-enyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[3-[(1S,5R,6S)-5-[2,4-bis(oxidanyl)phenyl]-6-[2,4-bis(oxidanyl)phenyl]carbonyl-3-methyl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)phenyl]-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C40H36O11
MOLECULAR WEIGHT: 692.70724
SMILES: CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)CC=C(C)C)O
Structure:
CAS RN: 106710-45-6
CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]hydrazo]-1-propanesulfonic acid
OPENEYE Name: 3-[2-(4-nitrobenzoyl)hydrazino]propane-1-sulfonic acid
IUPAC Name: 3-[2-(4-nitrobenzoyl)hydrazinyl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[2-(4-nitrophenyl)carbonylhydrazinyl]propane-1-sulfonic acid
MOLECULAR FORMULA: C10H13N3O6S
MOLECULAR WEIGHT: 303.29172
SMILES: C1=CC(=CC=C1C(=O)NNCCCS(=O)(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 39184-59-3
CAS Name: N-methylcarbamic acid [(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] ester
OPENEYE Name: [(Z)-[2,2-dimethyl-1-(methylsulfonylmethyl)propylidene]amino] N-methylcarbamate
IUPAC Name: [(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-(3,3-dimethyl-1-methylsulfonyl-butan-2-ylidene)amino] N-methylcarbamate
MOLECULAR FORMULA: C9H18N2O4S
MOLECULAR WEIGHT: 250.31522
SMILES: CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C
Structure:
CAS RN: 39184-27-5
CAS Name: N-methylcarbamic acid [(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] ester
OPENEYE Name: [(Z)-[2,2-dimethyl-1-(methylsulfinylmethyl)propylidene]amino] N-methylcarbamate
IUPAC Name: [(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-(3,3-dimethyl-1-methylsulfinyl-butan-2-ylidene)amino] N-methylcarbamate
MOLECULAR FORMULA: C9H18N2O3S
MOLECULAR WEIGHT: 234.31582
SMILES: CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)C
Structure:
CAS RN: 104987-54-4
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxythio)-2-(3-ethylsulfonylpropyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-acetoxysulfanyl-2-(3-ethylsulfonylpropyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-acetyloxysulfanyl-2-(3-ethylsulfonylpropyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-acetyloxysulfanyl-2-(3-ethylsulfonylpropyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C18H28O11S2
MOLECULAR WEIGHT: 484.53832
SMILES: CCS(=O)(=O)CCC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SOC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 104669-03-6
CAS Name: 3,6,7-trihydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-9-xanthenone
OPENEYE Name: 3,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-xanthen-9-one
IUPAC Name: 3,6,7-trihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyxanthen-9-one
SYSTEMATIC NAME: 1-[(2S,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,6,7-tris(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C19H18O10
MOLECULAR WEIGHT: 406.34022
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C3C(=CC(=C2)O)OC4=CC(=C(C=C4C3=O)O)O)O)O)O
Structure:
CAS RN: 104576-62-7
CAS Name: 2-(2,4-dichlorophenyl)-3-methyl-2,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 2-(2,4-dichlorophenyl)-3-methyl-2,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 2-(2,4-dichlorophenyl)-3-methyl-2,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-3-methyl-2,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C16H12Cl2N4O
MOLECULAR WEIGHT: 347.19868
SMILES: CN1C(N=C2NC3=CC=CC=C3N2C1=O)C4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 104576-61-6
CAS Name: 2,2,3,8,9-pentamethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 2,2,3,8,9-pentamethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 2,2,3,8,9-pentamethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 2,2,3,8,9-pentamethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C14H18N4O
MOLECULAR WEIGHT: 258.31892
SMILES: CC1=C(C2=C(C=C1)N3C(=NC(N(C3=O)C)(C)C)N2)C
Structure:
CAS RN: 104576-60-5
CAS Name: 2,2-dimethyl-3-(4-methylphenyl)-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 2,2-dimethyl-3-(p-tolyl)-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 2,2-dimethyl-3-(4-methylphenyl)-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 2,2-dimethyl-3-(4-methylphenyl)-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C18H18N4O
MOLECULAR WEIGHT: 306.36172
SMILES: CC1=CC=C(C=C1)N2C(=O)N3C4=CC=CC=C4NC3=NC2(C)C
Structure:
CAS RN: 104576-58-1
CAS Name: 2,2,3-trimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-imine
OPENEYE Name: 2,2,3-trimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-imine
IUPAC Name: 2,2,3-trimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-imine
SYSTEMATIC NAME: 2,2,3-trimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-imine
MOLECULAR FORMULA: C12H15N5
MOLECULAR WEIGHT: 229.281
SMILES: CC1(N=C2NC3=CC=CC=C3N2C(=N)N1C)C
Structure:
CAS RN: 104562-50-7
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-[(8-nitro-1-pyrenyl)amino]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(8-nitropyren-1-yl)amino]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(8-nitropyren-1-yl)amino]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(8-nitropyren-1-yl)amino]-3H-purin-6-one
MOLECULAR FORMULA: C26H21N7O6
MOLECULAR WEIGHT: 527.48824
SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)N=C(N3)N)N=C2NC4=C5C=CC6=C(C=CC7=C6C5=C(C=C7)C=C4)[N+](=O)[O-])CO)O
Structure:
CAS RN: 110187-38-7
CAS Name: 3,8-dihydroxy-1,2,4-trimethoxy-9-xanthenone
OPENEYE Name: 3,8-dihydroxy-1,2,4-trimethoxy-xanthen-9-one
IUPAC Name: 3,8-dihydroxy-1,2,4-trimethoxyxanthen-9-one
SYSTEMATIC NAME: 1,2,4-trimethoxy-3,8-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C16H14O7
MOLECULAR WEIGHT: 318.27816
SMILES: COC1=C(C(=C(C2=C1C(=O)C3=C(O2)C=CC=C3O)OC)O)OC
Structure:
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