CAS RN: 15518-82-8
CAS Name: 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione; 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-6-yl)oxy]acetic acid
OPENEYE Name: 7-[2-(diethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione; 2-(7-hydroxy-4-methyl-2-oxo-chromen-6-yl)oxyacetic acid
IUPAC Name: 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione; 2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid
SYSTEMATIC NAME: 7-[2-(diethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione; 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl)oxyethanoic acid
MOLECULAR FORMULA: C25H31N5O8
MOLECULAR WEIGHT: 529.54234
SMILES: CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O
Structure:
CAS RN: 808-24-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)OC(=O)C6=CN=CC=C6
Structure:
CAS RN: 509-56-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO3
MOLECULAR WEIGHT: 301.38012
SMILES: C[C@@]1(CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C)O
Structure:
CAS RN: 482-89-3
CAS Name: 2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
OPENEYE Name: 2-(3-oxoindolin-2-ylidene)indolin-3-one
IUPAC Name: 2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: 2-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-3-one
MOLECULAR FORMULA: C16H10N2O2
MOLECULAR WEIGHT: 262.2628
SMILES: C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4N3)N2
Structure:
CAS RN: 831-53-8
CAS Name: calcium (6Z)-6-[hydroxy(oxido)methylidene]-4,5-dioxo-2-pyrancarboxylate
OPENEYE Name: calcium (6Z)-6-[hydroxy(oxido)methylene]-4,5-dioxo-pyran-2-carboxylate
IUPAC Name: calcium (6Z)-6-[hydroxy(oxido)methylidene]-4,5-dioxopyran-2-carboxylate
SYSTEMATIC NAME: calcium (6Z)-6-[oxidanidyl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)pyran-2-carboxylate
MOLECULAR FORMULA: C7H2CaO7
MOLECULAR WEIGHT: 238.16458
SMILES: C1=C(O/C(=C(\O)/[O-])/C(=O)C1=O)C(=O)[O-].[Ca+2]
Structure:
CAS RN: 915-67-3
CAS Name: (4Z)-3-oxo-4-[(4-sulfo-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (4Z)-3-oxo-4-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (4Z)-3-oxo-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (4Z)-3-oxidanylidene-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C20H14N2O10S3
MOLECULAR WEIGHT: 538.52756
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C\3/C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O
Structure:
CAS RN: 636-95-3
CAS Name: (3-nitrophenyl)hydrazine hydrochloride
OPENEYE Name: (3-nitrophenyl)hydrazine hydrochloride
IUPAC Name: (3-nitrophenyl)hydrazine hydrochloride
SYSTEMATIC NAME: (3-nitrophenyl)diazane hydrochloride
MOLECULAR FORMULA: C6H8ClN3O2
MOLECULAR WEIGHT: 189.59962
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
Structure:
CAS RN: 39698-78-7
CAS Name: acetic acid; (2S)-2-[[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imid
OPENEYE Name: acetic acid; (2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-
IUPAC Name: acetic acid; (2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoy
SYSTEMATIC NAME: (2S)-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(methylamino)ethanoylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrro
MOLECULAR FORMULA: C44H69N13O12
MOLECULAR WEIGHT: 972.09856
SMILES: C[C@@H](C(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC.CC(=O)O
Structure:
CAS RN: 26305-03-3
CAS Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid
OPENEYE Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid
IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
SYSTEMATIC NAME: (3S,4S)-6-methyl-4-[[(2S)-2-[[(3S)-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C34H63N5O9
MOLECULAR WEIGHT: 685.89212
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H](C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Structure:
CAS RN: 26368-29-6
CAS Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid
OPENEYE Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid
IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
SYSTEMATIC NAME: (3S,4S)-6-methyl-4-[[(2S)-2-[[(3S)-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C34H63N5O9
MOLECULAR WEIGHT: 685.89212
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H](C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Structure:
CAS RN: 13967-73-2
CAS Name: strontium-85
OPENEYE Name: strontium-85
IUPAC Name: strontium-85
SYSTEMATIC NAME: strontium-85
MOLECULAR FORMULA: Sr
MOLECULAR WEIGHT: 84.912933
SMILES: [85Sr]
Structure:
CAS RN: 14391-63-0
CAS Name: rubidium-82
OPENEYE Name: rubidium-82
IUPAC Name: rubidium-82
SYSTEMATIC NAME: rubidium-82
MOLECULAR FORMULA: Rb
MOLECULAR WEIGHT: 81.918208
SMILES: [82Rb]
Structure:
CAS RN: 55830-63-2
CAS Name: 1,5-dimethyl-2-phenyl-4-propan-2-yl-3-pyrazolone; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol
OPENEYE Name: 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C24H33N3O2
MOLECULAR WEIGHT: 395.53772
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC
Structure:
CAS RN: 82239-52-9
CAS Name: 4-[4-methyl-3-[2-(4-morpholinyl)ethylamino]-1H-pyridazin-6-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[4-methyl-3-(2-morpholinoethylamino)-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[4-methyl-3-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[4-methyl-3-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H22N4O2
MOLECULAR WEIGHT: 314.38218
SMILES: CC1=CC(=C2C=CC(=O)C=C2)NN=C1NCCN3CCOCC3
Structure:
CAS RN: 1226-52-4
CAS Name: 4-(2,4,7-triamino-5H-pteridin-6-ylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(2,4,7-triamino-5H-pteridin-6-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(2,4,7-triamino-5H-pteridin-6-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[2,4,7-tris(azanyl)-5H-pteridin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C12H11N7O
MOLECULAR WEIGHT: 269.26204
SMILES: C1=CC(=O)C=CC1=C2C(=NC3=C(N2)C(=NC(=N3)N)N)N
Structure:
CAS RN: 1196-41-4
CAS Name: 2,6-dibromo-7H-purine
OPENEYE Name: 2,6-dibromo-7H-purine
IUPAC Name: 2,6-dibromo-7H-purine
SYSTEMATIC NAME: 2,6-bis(bromanyl)-7H-purine
MOLECULAR FORMULA: C5H2Br2N4
MOLECULAR WEIGHT: 277.90418
SMILES: C1=NC2=C(N1)C(=NC(=N2)Br)Br
Structure:
CAS RN: 1134-85-6
CAS Name: ammonium 2-amino-4,6-dinitrophenolate
OPENEYE Name: ammonium 2-amino-4,6-dinitro-phenolate
IUPAC Name: azanium 2-amino-4,6-dinitrophenolate
SYSTEMATIC NAME: azanium 2-azanyl-4,6-dinitro-phenolate
MOLECULAR FORMULA: C6H8N4O5
MOLECULAR WEIGHT: 216.15152
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[NH4+]
Structure:
CAS RN: 1110-80-1
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[4-(2-hydroxyethyl)-1-piperazinyl]methylamino]methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[4-(2-hydroxyethyl)piperazin-1-yl]methylamino]methylene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-[[4-(2-hydroxyethyl)piperazin-1-yl]methylamino]methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-2-[[[4-(2-hydroxyethyl)piperazin-1-yl]methylamino]-oxidanyl-methylidene]-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C29H38N4O9
MOLECULAR WEIGHT: 586.63342
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\NCN4CCN(CC4)CCO)/O)/C(=O)[C@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
Structure:
CAS RN: 58416-00-5
CAS Name: (2E,5E)-2,5-bis[hydroxy(propoxy)methylidene]thiolane-3,4-dione
OPENEYE Name: (2E,5E)-2,5-bis[hydroxy(propoxy)methylene]tetrahydrothiophene-3,4-dione
IUPAC Name: (2E,5E)-2,5-bis[hydroxy(propoxy)methylidene]thiolane-3,4-dione
SYSTEMATIC NAME: (2E,5E)-2,5-bis[oxidanyl(propoxy)methylidene]thiolane-3,4-dione
MOLECULAR FORMULA: C12H16O6S
MOLECULAR WEIGHT: 288.31684
SMILES: CCCO/C(=C\1/S/C(=C(/OCCC)\O)/C(=O)C1=O)/O
Structure:
CAS RN: 103336-05-6
CAS Name: (2S)-2-[[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]amino]-oxomethyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxometh
OPENEYE Name: tert-butyl (2S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2S,4S)-2-hydroxy-1-isobutyl-5-methyl-4-[[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]carbamoyl]hexyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1
IUPAC Name: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]p
SYSTEMATIC NAME: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]-5-oxidanyl-nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylide
MOLECULAR FORMULA: C50H75N9O8
MOLECULAR WEIGHT: 930.186
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C
Structure:
CAS RN: 72165-34-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1
Structure:
CAS RN: 17162-21-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32N2O4
MOLECULAR WEIGHT: 400.51118
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](CC4)O
Structure:
CAS RN: 6696-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26INO3
MOLECULAR WEIGHT: 455.32981
SMILES: CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CC[N+]4(C)C)[C@@H](O2)[C@H](C=C5)O)C=C1.[I-]
Structure:
CAS RN: 125-25-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22BrNO3
MOLECULAR WEIGHT: 380.27618
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Br
Structure:
CAS RN: 88040-23-7
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C19H24N6O5S2
MOLECULAR WEIGHT: 480.56106
SMILES: C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
Structure:
CAS RN: 69376-27-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H24ClNO
MOLECULAR WEIGHT: 293.83156
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.Cl
Structure:
CAS RN: 68616-83-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCCCCN[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)C
Structure:
CAS RN: 66960-35-8
CAS Name: acetic acid; (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-methylamino]-4-(methylthio)butanamide
OPENEYE Name: acetic acid; (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-methyl-amino]-4-methylsulfanyl-butanamide
IUPAC Name: acetic acid; (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-methylamino]-4-methylsulfanylbutanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-methyl-amino]-4-methylsulfanyl-butanamide; ethanoic acid
MOLECULAR FORMULA: C31H44N6O8S
MOLECULAR WEIGHT: 660.78146
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N.CC(=O)O
Structure:
CAS RN: 6146-99-2
CAS Name: 2-[(Z)-(3-methyl-4-oxo-1-naphthalenylidene)amino]oxyacetic acid
OPENEYE Name: 2-[(Z)-(3-methyl-4-oxo-1-naphthylidene)amino]oxyacetic acid
IUPAC Name: 2-[(Z)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]oxyacetic acid
SYSTEMATIC NAME: 2-[(Z)-(3-methyl-4-oxidanylidene-naphthalen-1-ylidene)amino]oxyethanoic acid
MOLECULAR FORMULA: C13H11NO4
MOLECULAR WEIGHT: 245.23074
SMILES: CC1=C/C(=N/OCC(=O)O)/C2=CC=CC=C2C1=O
Structure:
CAS RN: 567-95-3
CAS Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione
OPENEYE Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-anthracene-9,10-dione
IUPAC Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)-1,3,6,8-tetranitro-4,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H6N4O13
MOLECULAR WEIGHT: 450.22714
SMILES: C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 11027-25-1
CAS Name: (2E)-2-[(3,6-dimethyl-2-phenyl-4-pyrimidin-3-iumyl)methylidene]-1-ethylquinoline chloride
OPENEYE Name: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylene]-1-ethyl-quinoline chloride
IUPAC Name: (2E)-2-[(3,6-dimethyl-2-phenylpyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline chloride
SYSTEMATIC NAME: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylidene]-1-ethyl-quinoline chloride
MOLECULAR FORMULA: C24H24ClN3
MOLECULAR WEIGHT: 389.92046
SMILES: CCN1/C(=C/C2=CC(=NC(=[N+]2C)C3=CC=CC=C3)C)/C=CC4=CC=CC=C41.[Cl-]
Structure:
CAS RN: 12701-70-1
CAS Name: (2E)-2-[(3,6-dimethyl-2-phenyl-4-pyrimidin-3-iumyl)methylidene]-1-ethylquinoline chloride
OPENEYE Name: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylene]-1-ethyl-quinoline chloride
IUPAC Name: (2E)-2-[(3,6-dimethyl-2-phenylpyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline chloride
SYSTEMATIC NAME: (2E)-2-[(3,6-dimethyl-2-phenyl-pyrimidin-3-ium-4-yl)methylidene]-1-ethyl-quinoline chloride
MOLECULAR FORMULA: C24H24ClN3
MOLECULAR WEIGHT: 389.92046
SMILES: CCN1/C(=C/C2=CC(=NC(=[N+]2C)C3=CC=CC=C3)C)/C=CC4=CC=CC=C41.[Cl-]
Structure:
CAS RN: 549-94-0
CAS Name: disodium (2E,3Z)-2,3-bis(phenylhydrazinylidene)butanedioate
OPENEYE Name: disodium (2E,3Z)-2,3-bis(phenylhydrazono)butanedioate
IUPAC Name: disodium (2E,3Z)-2,3-bis(phenylhydrazinylidene)butanedioate
SYSTEMATIC NAME: disodium (2E,3Z)-2,3-bis(phenylhydrazinylidene)butanedioate
MOLECULAR FORMULA: C16H12N4Na2O4
MOLECULAR WEIGHT: 370.27042
SMILES: C1=CC=C(C=C1)N/N=C(\C(=N\NC2=CC=CC=C2)\C(=O)[O-])/C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 548-76-5
CAS Name: 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
SYSTEMATIC NAME: 3-(3,4-dimethoxy-5-oxidanyl-phenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O
Structure:
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