CAS RN: 144060-53-7
CAS Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid
OPENEYE Name: 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid
IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C16H16N2O3S
MOLECULAR WEIGHT: 316.37484
SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
Structure:
CAS RN: 143896-40-6
CAS Name: (2S)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-aminopropanoic acid [2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl] ester
OPENEYE Name: [2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoate
IUPAC Name: [2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate
SYSTEMATIC NAME: 2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethanoyl (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-azanyl-propanoate
MOLECULAR FORMULA: C16H28N4O11
MOLECULAR WEIGHT: 452.41372
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)OC(=O)CNC(=O)[C@H](CO)N)N)CO)O)O
Structure:
CAS RN: 143773-92-6
CAS Name: 2-[(3-trimethylsilylphenyl)methyl]guanidine
OPENEYE Name: 2-[(3-trimethylsilylphenyl)methyl]guanidine
IUPAC Name: 2-[(3-trimethylsilylphenyl)methyl]guanidine
SYSTEMATIC NAME: 2-[(3-trimethylsilylphenyl)methyl]guanidine
MOLECULAR FORMULA: C11H19N3Si
MOLECULAR WEIGHT: 221.37416
SMILES: C[Si](C)(C)C1=CC=CC(=C1)CN=C(N)N
Structure:
CAS RN: 143413-73-4
CAS Name: 1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione
OPENEYE Name: 1,3-dibutyl-2-thioxo-imidazolidine-4,5-dione
IUPAC Name: 1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione
SYSTEMATIC NAME: 1,3-dibutyl-2-sulfanylidene-imidazolidine-4,5-dione
MOLECULAR FORMULA: C11H18N2O2S
MOLECULAR WEIGHT: 242.33782
SMILES: CCCCN1C(=O)C(=O)N(C1=S)CCCC
Structure:
CAS RN: 143413-72-3
CAS Name: 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 1,3-dibutyl-5-hydroxy-5-methoxy-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 1,3-dibutyl-5-methoxy-5-oxidanyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C13H22N2O4S
MOLECULAR WEIGHT: 302.38978
SMILES: CCCCN1C(=O)C(C(=O)N(C1=S)CCCC)(O)OC
Structure:
CAS RN: 143413-71-2
CAS Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)-1-propanesulfonic acid
OPENEYE Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid
IUPAC Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid
SYSTEMATIC NAME: 3-(2-methyl-2-oxidanyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid
MOLECULAR FORMULA: C11H15NO5S
MOLECULAR WEIGHT: 273.3055
SMILES: CC1(N(C2=CC=CC=C2O1)CCCS(=O)(=O)O)O
Structure:
CAS RN: 123712-49-2
CAS Name: hydron; platinum(2+); N8,N8,3-trimethylphenazine-2,8-diamine; tetrachloride
OPENEYE Name: hydron; platinum(2+); N8,N8,3-trimethylphenazine-2,8-diamine; tetrachloride
IUPAC Name: hydron; platinum(2+); 8-N,8-N,3-trimethylphenazine-2,8-diamine; tetrachloride
SYSTEMATIC NAME: hydron; platinum(2+); N8,N8,3-trimethylphenazine-2,8-diamine; tetrachloride
MOLECULAR FORMULA: C30H34Cl4N8Pt
MOLECULAR WEIGHT: 843.53456
SMILES: [H+].[H+].CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 153086-93-2
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-amino-2-pyridinyl)pentanamide
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-amino-2-pyridyl)pentanamide
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-aminopyridin-2-yl)pentanamide
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-azanylpyridin-2-yl)pentanamide
MOLECULAR FORMULA: C15H21N5O2S
MOLECULAR WEIGHT: 335.42454
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC=CC(=N3)N)NC(=O)N2
Structure:
CAS RN: 152923-07-4
CAS Name: 2,5-bis(1-aziridinyl)-3,6-dimethylbenzene-1,4-diol
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-dimethyl-benzene-1,4-diol
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-dimethylbenzene-1,4-diol
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-dimethyl-benzene-1,4-diol
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC1=C(C(=C(C(=C1O)N2CC2)C)O)N3CC3
Structure:
CAS RN: 152872-07-6
CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[4-(isothiocyanatomethyl)thiazol-2-yl]carbamate
IUPAC Name: methyl N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate
MOLECULAR FORMULA: C7H7N3O2S2
MOLECULAR WEIGHT: 229.27938
SMILES: COC(=O)NC1=NC(=CS1)CN=C=S
Structure:
CAS RN: 152564-71-1
CAS Name: (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
OPENEYE Name: (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
IUPAC Name: (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
SYSTEMATIC NAME: (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
MOLECULAR FORMULA: C18H26O4
MOLECULAR WEIGHT: 306.39664
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CCC3=CC(=C(C=C23)O)CO)(C)CO)O
Structure:
CAS RN: 152531-50-5
CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]benzamide
OPENEYE Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide
IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C12H9N3OS2
MOLECULAR WEIGHT: 275.34936
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S
Structure:
CAS RN: 152502-86-8
CAS Name: 4-amino-1-[(3S,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(3S,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(3S,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(3S,4S,5R)-3,5-bis(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O5
MOLECULAR WEIGHT: 257.2432
SMILES: C1=CN(C(=O)N=C1N)C2[C@H]([C@@H]([C@H](O2)CO)O)CO
Structure:
CAS RN: 152502-85-7
CAS Name: 4-amino-1-[(3S,4S,5R)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(3S,4S,5R)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(3S,4S,5R)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(3S,4S,5R)-3-(fluoranylmethyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H14FN3O4
MOLECULAR WEIGHT: 259.234263
SMILES: C1=CN(C(=O)N=C1N)C2[C@H]([C@@H]([C@H](O2)CO)O)CF
Structure:
CAS RN: 152128-14-8
CAS Name: N-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-2,3-dimethoxybenzamide
OPENEYE Name: N-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-2,3-dimethoxy-benzamide
IUPAC Name: N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dimethoxybenzamide
SYSTEMATIC NAME: N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dimethoxy-benzamide
MOLECULAR FORMULA: C21H25FN2O3
MOLECULAR WEIGHT: 372.433203
SMILES: COC1=CC=CC(=C1OC)C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)F
Structure:
CAS RN: 151915-03-6
CAS Name: N-ethyl-N'-[3-[3-(prop-2-ynylamino)propylamino]propyl]propane-1,3-diamine tetrahydrobromide
OPENEYE Name: N-ethyl-N'-[3-[3-(prop-2-ynylamino)propylamino]propyl]propane-1,3-diamine tetrahydrobromide
IUPAC Name: N-ethyl-N'-[3-[3-(prop-2-ynylamino)propylamino]propyl]propane-1,3-diamine tetrahydrobromide
SYSTEMATIC NAME: N-ethyl-N'-[3-[3-(prop-2-ynylamino)propylamino]propyl]propane-1,3-diamine tetrahydrobromide
MOLECULAR FORMULA: C14H34Br4N4
MOLECULAR WEIGHT: 578.06256
SMILES: CCNCCCNCCCNCCCNCC#C.Br.Br.Br.Br
Structure:
CAS RN: 151898-33-8
CAS Name: 6-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-8-imidazo[1,2-a]pyridinecarboxamide
OPENEYE Name: 6-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
IUPAC Name: 6-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxamide
MOLECULAR FORMULA: C16H19ClN4O
MOLECULAR WEIGHT: 318.80126
SMILES: C1C[C@H]2[C@@H](CCN2C1)CNC(=O)C3=CC(=CN4C3=NC=C4)Cl
Structure:
CAS RN: 151775-55-2
CAS Name: 3-[2-(dimethylamino)ethoxy]-1-hydroxynaphtho[3,2-b]benzofuran-6,11-dione
OPENEYE Name: 3-[2-(dimethylamino)ethoxy]-1-hydroxy-naphtho[3,2-b]benzofuran-6,11-dione
IUPAC Name: 3-[2-(dimethylamino)ethoxy]-1-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethoxy]-1-oxidanyl-naphtho[3,2-b][1]benzofuran-6,11-dione
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: CN(C)CCOC1=CC(=C2C(=C1)OC3=C2C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 151703-06-9
CAS Name: 5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: 5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 4-methoxy-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C23H20O9
MOLECULAR WEIGHT: 440.3995
SMILES: COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=C(C5=C(C=C24)OCO5)OC)O)COC3=O
Structure:
CAS RN: 151681-59-3
CAS Name: 5-oxo-5-[(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl)oxy]pentanoic acid
OPENEYE Name: 5-oxo-5-[(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl)oxy]pentanoic acid
IUPAC Name: 5-oxo-5-[(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl)oxy]pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-5-[(2-oxidanylidene-4,6-dihydrofuro[3,2-c]pyran-4-yl)oxy]pentanoic acid
MOLECULAR FORMULA: C12H12O7
MOLECULAR WEIGHT: 268.21948
SMILES: C1C=C2C(=CC(=O)O2)C(O1)OC(=O)CCCC(=O)O
Structure:
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