CAS RN: 128377-70-8
CAS Name: 2-(dimethylamino)-1-(6-methyl-5,5-dioxo-11-benzo[c][1,2,5]benzothiadiazepinyl)ethanone
OPENEYE Name: 2-(dimethylamino)-1-(6-methyl-5,5-dioxo-benzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
IUPAC Name: 2-(dimethylamino)-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
SYSTEMATIC NAME: 2-(dimethylamino)-1-[6-methyl-5,5-bis(oxidanylidene)benzo[c][1,2,5]benzothiadiazepin-11-yl]ethanone
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 345.41606
SMILES: CN1C2=CC=CC=C2N(C3=CC=CC=C3S1(=O)=O)C(=O)CN(C)C
Structure:
CAS RN: 128341-04-8
CAS Name: 4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
OPENEYE Name: 4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
IUPAC Name: 4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(hydroxymethyl)-4,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O
Structure:
CAS RN: 103946-11-8
CAS Name: (7S,9S)-9-acetyl-7-[[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-9-ethanoyl-7-[(2R,3R,4R,5S,6S)-3-fluoranyl-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H27FO11
MOLECULAR WEIGHT: 546.495083
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)F)O)O
Structure:
CAS RN: 103935-48-4
CAS Name: trifluoromethanesulfonic acid 3-bromopropyl ester
OPENEYE Name: 3-bromopropyl trifluoromethanesulfonate
IUPAC Name: 3-bromopropyl trifluoromethanesulfonate
SYSTEMATIC NAME: 3-bromanylpropyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C4H6BrF3O3S
MOLECULAR WEIGHT: 271.05285
SMILES: C(COS(=O)(=O)C(F)(F)F)CBr
Structure:
CAS RN: 103931-15-3
CAS Name: 3-(methylthio)benzene-1,2-diol
OPENEYE Name: 3-methylsulfanylbenzene-1,2-diol
IUPAC Name: 3-methylsulfanylbenzene-1,2-diol
SYSTEMATIC NAME: 3-methylsulfanylbenzene-1,2-diol
MOLECULAR FORMULA: C7H8O2S
MOLECULAR WEIGHT: 156.20222
SMILES: CSC1=CC=CC(=C1O)O
Structure:
CAS RN: 103930-51-4
CAS Name: (7S,9S)-7-[[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoranyl-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H27FO12
MOLECULAR WEIGHT: 562.494483
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)F)O)O
Structure:
CAS RN: 103915-43-1
CAS Name: N-(1-pyrenyl)formamide
OPENEYE Name: N-pyren-1-ylformamide
IUPAC Name: N-pyren-1-ylformamide
SYSTEMATIC NAME: N-pyren-1-ylmethanamide
MOLECULAR FORMULA: C17H11NO
MOLECULAR WEIGHT: 245.27534
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC=O
Structure:
CAS RN: 103904-10-5
CAS Name: 2-(5-isothiocyanato-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid
OPENEYE Name: 2-(5-isothiocyanato-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid
IUPAC Name: 2-(5-isothiocyanato-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
SYSTEMATIC NAME: 2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid
MOLECULAR FORMULA: C15H8N2O4S
MOLECULAR WEIGHT: 312.30002
SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC(=O)O)N=C=S
Structure:
CAS RN: 103884-98-6
CAS Name: 2-amino-9-[(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(3S,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H12FN5O4
MOLECULAR WEIGHT: 285.231783
SMILES: C1=NC2=C(N1C3[C@H]([C@@H]([C@H](O3)CO)O)F)NC(=NC2=O)N
Structure:
CAS RN: 103881-76-1
CAS Name: (2S)-2-amino-N-[(3S,16S)-16-butan-2-yl-5,8,15-trioxo-3-(phenylmethyl)-1-thia-4,7,14-triazacyclohexadec-9-yl]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-amino-N-[(3S,16S)-3-benzyl-5,8,15-trioxo-16-sec-butyl-1-thia-4,7,14-triazacyclohexadec-9-yl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: (2S)-2-amino-N-[(3S,16S)-3-benzyl-16-butan-2-yl-5,8,15-trioxo-1-thia-4,7,14-triazacyclohexadec-9-yl]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(3S,16S)-16-butan-2-yl-5,8,15-tris(oxidanylidene)-3-(phenylmethyl)-1-thia-4,7,14-triazacyclohexadec-9-yl]-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C32H45N5O5S
MOLECULAR WEIGHT: 611.7952
SMILES: CCC(C)[C@H]1C(=O)NCCCCC(C(=O)NCC(=O)N[C@H](CS1)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 103878-95-1
CAS Name: [5-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate
OPENEYE Name: [5-(2-aminoethyl)-2-hydroxy-phenyl] dihydrogen phosphate
IUPAC Name: [5-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate
SYSTEMATIC NAME: [5-(2-azanylethyl)-2-oxidanyl-phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C8H12NO5P
MOLECULAR WEIGHT: 233.158341
SMILES: C1=CC(=C(C=C1CCN)OP(=O)(O)O)O
Structure:
CAS RN: 103878-94-0
CAS Name: [4-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate
OPENEYE Name: [4-(2-aminoethyl)-2-hydroxy-phenyl] dihydrogen phosphate
IUPAC Name: [4-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate
SYSTEMATIC NAME: [4-(2-azanylethyl)-2-oxidanyl-phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C8H12NO5P
MOLECULAR WEIGHT: 233.158341
SMILES: C1=CC(=C(C=C1CCN)O)OP(=O)(O)O
Structure:
CAS RN: 103876-49-9
CAS Name: 4-[[2-oxo-3-(2H-tetrazol-5-yl)-1-benzopyran-8-yl]oxy]butanoic acid
OPENEYE Name: 4-[2-oxo-3-(2H-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
IUPAC Name: 4-[2-oxo-3-(2H-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
SYSTEMATIC NAME: 4-[2-oxidanylidene-3-(2H-1,2,3,4-tetrazol-5-yl)chromen-8-yl]oxybutanoic acid
MOLECULAR FORMULA: C14H12N4O5
MOLECULAR WEIGHT: 316.26888
SMILES: C1=CC2=C(C(=C1)OCCCC(=O)O)OC(=O)C(=C2)C3=NNN=N3
Structure:
CAS RN: 103875-27-0
CAS Name: 1H-imidazole; ruthenium(3+); tetrachloride
OPENEYE Name: imidazole; ruthenium(3+); tetrachloride
IUPAC Name: 1H-imidazole; ruthenium(3+); tetrachloride
SYSTEMATIC NAME: 1H-imidazole; ruthenium(3+); tetrachloride
MOLECULAR FORMULA: C9H12Cl4N6Ru-
MOLECULAR WEIGHT: 447.11378
SMILES: C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3]
Structure:
CAS RN: 103851-20-3
CAS Name: 6,9,11-trihydroxy-7-[[4-hydroxy-3-(2-hydroxyethylamino)-5-methyl-2-oxanyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-[3-(2-hydroxyethylamino)-5-methyl-4-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C29H33NO12
MOLECULAR WEIGHT: 587.57182
SMILES: CC1COC(C(C1O)NCCO)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O
Structure:
CAS RN: 103850-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O9
MOLECULAR WEIGHT: 476.51618
SMILES: C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@]([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=C[C@@H]([C@H]5O)O)C)C)(C1=O)O
Structure:
CAS RN: 103848-62-0
CAS Name: 1-[[3-(2,5-dioxo-1-pyrrolyl)phenyl]-oxomethoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]carbonyloxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C15H10N2O9S
MOLECULAR WEIGHT: 394.3129
SMILES: C1C(C(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O)S(=O)(=O)O
Structure:
CAS RN: 103839-22-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O9
MOLECULAR WEIGHT: 476.51618
SMILES: CC1=C[C@@H]([C@H]([C@]2([C@H]1[C@H]([C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)OC(=O)C=C(C)C)C)O)O
Structure:
CAS RN: 103834-43-1
CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropyl]thio]-3-methylpentanoic acid
OPENEYE Name: 2-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propyl]sulfanyl-3-methyl-pentanoic acid
IUPAC Name: 2-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropyl]sulfanyl-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propyl]sulfanyl-3-methyl-pentanoic acid
MOLECULAR FORMULA: C29H40N4O6S
MOLECULAR WEIGHT: 572.7161
SMILES: CCC(C)C(C(=O)O)SCC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N
Structure:
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