CAS RN: 138932-35-1
CAS Name: N-(4-bromophenyl)-3-oxo-4,5-diphenyl-1-pyrazolidinecarboxamide
OPENEYE Name: N-(4-bromophenyl)-3-oxo-4,5-diphenyl-pyrazolidine-1-carboxamide
IUPAC Name: N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
SYSTEMATIC NAME: N-(4-bromophenyl)-3-oxidanylidene-4,5-diphenyl-pyrazolidine-1-carboxamide
MOLECULAR FORMULA: C22H18BrN3O2
MOLECULAR WEIGHT: 436.30122
SMILES: C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
Structure:
CAS RN: 138914-16-6
CAS Name: 2-(2-bromo-1-oxoethoxy)-2-phenylacetic acid
OPENEYE Name: 2-(2-bromoacetyl)oxy-2-phenyl-acetic acid
IUPAC Name: 2-(2-bromoacetyl)oxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-(2-bromanylethanoyloxy)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C10H9BrO4
MOLECULAR WEIGHT: 273.08006
SMILES: C1=CC=C(C=C1)C(C(=O)O)OC(=O)CBr
Structure:
CAS RN: 138913-63-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H42O4
MOLECULAR WEIGHT: 466.65208
SMILES: C[C@@]12CC[C@@]3([C@@H]([C@H]1[C@H]4C(C2)OC(=O)C4=C)CC[C@H]5[C@]3(CC(=O)[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)C
Structure:
CAS RN: 138913-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44O4
MOLECULAR WEIGHT: 468.66796
SMILES: C[C@@]12CC[C@@]3([C@@H]([C@H]1[C@H]4C(C2)OC(=O)C45CO5)CC[C@H]6[C@]3(CC[C@@H]7[C@@]6(CCC(=O)C7(C)C)C)C)C
Structure:
CAS RN: 138571-55-8
CAS Name: 2-amino-N-(2-nitrophenyl)acetamide
OPENEYE Name: 2-amino-N-(2-nitrophenyl)acetamide
IUPAC Name: 2-amino-N-(2-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-azanyl-N-(2-nitrophenyl)ethanamide
MOLECULAR FORMULA: C8H9N3O3
MOLECULAR WEIGHT: 195.17536
SMILES: C1=CC=C(C(=C1)NC(=O)CN)[N+](=O)[O-]
Structure:
CAS RN: 138488-46-7
CAS Name: N-(2-aminoethyl)-7-oxo-6-furo[3,2-g][1]benzopyrancarboxamide
OPENEYE Name: N-(2-aminoethyl)-7-oxo-furo[3,2-g]chromene-6-carboxamide
IUPAC Name: N-(2-aminoethyl)-7-oxofuro[3,2-g]chromene-6-carboxamide
SYSTEMATIC NAME: N-(2-azanylethyl)-7-oxidanylidene-furo[3,2-g]chromene-6-carboxamide
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1=COC2=CC3=C(C=C21)C=C(C(=O)O3)C(=O)NCCN
Structure:
CAS RN: 138852-22-9
CAS Name: [2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-acetoxy-3-(2-methyloctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C29H60NO7P
MOLECULAR WEIGHT: 565.762961
SMILES: CCCCCCCCCCCCCCCCC(C)COCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
Structure:
CAS RN: 138833-52-0
CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-1-cyclohexa-1,5-dienyl)amino]benzenesulfonamide
OPENEYE Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide
IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)amino]benzenesulfonamide
SYSTEMATIC NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[[6-methoxy-3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C17H16N4O5S2
MOLECULAR WEIGHT: 420.46274
SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=O)C(=O)C=C3OC
Structure:
CAS RN: 138828-05-4
CAS Name: 3-amino-4a,8-dimethyl-1H-phenoxazin-2-one
OPENEYE Name: 3-amino-4a,8-dimethyl-1H-phenoxazin-2-one
IUPAC Name: 3-amino-4a,8-dimethyl-1H-phenoxazin-2-one
SYSTEMATIC NAME: 3-azanyl-4a,8-dimethyl-1H-phenoxazin-2-one
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC1=CC2=C(C=C1)OC3(C=C(C(=O)CC3=N2)N)C
Structure:
CAS RN: 138780-09-3
CAS Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxanyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-4-hexen-1-one
OPENEYE Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-tetrahydropyran-2-yloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one
IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethylhex-4-en-1-one
SYSTEMATIC NAME: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4,5-dimethyl-hex-4-en-1-one
MOLECULAR FORMULA: C32H52O3
MOLECULAR WEIGHT: 484.75348
SMILES: CC(=C(C)CCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C)C
Structure:
CAS RN: 138777-11-4
CAS Name: (8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-1,3,5-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,3,5-tris(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C28H46O4
MOLECULAR WEIGHT: 446.66244
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4([C@@]3(C(CC(C4)O)O)C)O)C
Structure:
CAS RN: 138772-64-2
CAS Name: 1,3-bis[(4-chlorophenyl)methoxy]-1,3-diphenyl-2-propanone oxime
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methoxy]-1,3-diphenyl-propan-2-one oxime
IUPAC Name: N-[1,3-bis[(4-chlorophenyl)methoxy]-1,3-diphenylpropan-2-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[1,3-bis[(4-chlorophenyl)methoxy]-1,3-diphenyl-propan-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C29H25Cl2NO3
MOLECULAR WEIGHT: 506.4197
SMILES: C1=CC=C(C=C1)C(C(=NO)C(C2=CC=CC=C2)OCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl
Structure:
CAS RN: 138738-21-3
CAS Name: 3-(1-oxo-2-phosphonoethyl)-2-piperidinecarboxylic acid
OPENEYE Name: 3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
IUPAC Name: 3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
SYSTEMATIC NAME: 3-(2-phosphonoethanoyl)piperidine-2-carboxylic acid
MOLECULAR FORMULA: C8H14NO6P
MOLECULAR WEIGHT: 251.173621
SMILES: C1CC(C(NC1)C(=O)O)C(=O)CP(=O)(O)O
Structure:
CAS RN: 138590-60-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H33N3O2
MOLECULAR WEIGHT: 383.52702
SMILES: CCC(C)C1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)C(C)(C)C=C)CO
Structure:
CAS RN: 138588-54-2
CAS Name: 5-(aminomethyl)-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 5-(aminomethyl)-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 5-(aminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 5-(aminomethyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C21H15NO5
MOLECULAR WEIGHT: 361.3475
SMILES: C1=CC2=C(C=C1CN)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Structure:
CAS RN: 138588-53-1
CAS Name: 6-(aminomethyl)-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6-(aminomethyl)-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6-(aminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6-(aminomethyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C21H15NO5
MOLECULAR WEIGHT: 361.3475
SMILES: C1=CC2=C(C=C1CN)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Structure:
CAS RN: 138559-57-6
CAS Name: 4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydrobenzofuran-7-carboxamide
OPENEYE Name: 4-amino-5-chloro-N-[(3R)-quinuclidin-3-yl]-2,3-dihydrobenzofuran-7-carboxamide
IUPAC Name: 4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H20ClN3O2
MOLECULAR WEIGHT: 321.8019
SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC(=C(C4=C3OCC4)N)Cl
Structure:
CAS RN: 138525-71-0
CAS Name: N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
IUPAC Name: methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[6-(4-oxidanylidene-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
MOLECULAR FORMULA: C17H13N5O3
MOLECULAR WEIGHT: 335.31682
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43
Structure:
CAS RN: 138490-53-6
CAS Name: 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-(1-methyl-2-benzimidazolyl)amino]ethyl]benzenesulfonamide
OPENEYE Name: 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide
IUPAC Name: 4-(methanesulfonamido)-N-methyl-N-[2-[methyl-(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: N-methyl-N-[2-[methyl-(1-methylbenzimidazol-2-yl)amino]ethyl]-4-(methylsulfonylamino)benzenesulfonamide
MOLECULAR FORMULA: C19H25N5O4S2
MOLECULAR WEIGHT: 451.5629
SMILES: CN1C2=CC=CC=C2N=C1N(C)CCN(C)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)C
Structure:
CAS RN: 138474-38-1
CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (4-methyl-2-oxo-chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino)propanoate
IUPAC Name: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SYSTEMATIC NAME: (4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
MOLECULAR FORMULA: C18H21NO6
MOLECULAR WEIGHT: 347.36244
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C)NC(=O)OC(C)(C)C
Structure:
CAS RN: 138474-03-0
CAS Name: 2-[[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]methylamino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C30H39N5O6
MOLECULAR WEIGHT: 565.66056
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)CN[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)NCC(=O)O
Structure:
CAS RN: 138472-18-1
CAS Name: N,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)propyl]-1-piperazinecarboxamide hydrochloride
OPENEYE Name: N,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)propyl]piperazine-1-carboxamide hydrochloride
IUPAC Name: N,N-diethyl-4-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propyl]piperazine-1-carboxamide hydrochloride
SYSTEMATIC NAME: N,N-diethyl-4-[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propyl]piperazine-1-carboxamide hydrochloride
MOLECULAR FORMULA: C20H34ClN7O3
MOLECULAR WEIGHT: 455.98206
SMILES: CCN(CC)C(=O)N1CCN(CC1)CCCC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C.Cl
Structure:
CAS RN: 138452-22-9
CAS Name: 4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid
OPENEYE Name: 4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid
IUPAC Name: 4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid
SYSTEMATIC NAME: 4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid
MOLECULAR FORMULA: C11H11N3O12
MOLECULAR WEIGHT: 377.21794
SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
Structure:
CAS RN: 138420-02-7
CAS Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[2-(1-oxotetradecoxy)ethyl]amino]ethyl-(2-hydroxyethyl)amino]-1-oxoethyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxo-ethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-2-oxidanylidene-ethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C32H56N4O13
MOLECULAR WEIGHT: 704.80604
SMILES: CCCCCCCCCCCCCC(=O)OCCN(CCN(CCO)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 138404-96-3
CAS Name: 17-amino-19-hydroxy-18-(1-oxo-2-propylpentyl)pentatriacontane-16,20-dione
OPENEYE Name: 17-amino-19-hydroxy-18-(2-propylpentanoyl)pentatriacontane-16,20-dione
IUPAC Name: 17-amino-19-hydroxy-18-(2-propylpentanoyl)pentatriacontane-16,20-dione
SYSTEMATIC NAME: 17-azanyl-19-oxidanyl-18-(2-propylpentanoyl)pentatriacontane-16,20-dione
MOLECULAR FORMULA: C43H83NO4
MOLECULAR WEIGHT: 678.12342
SMILES: CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCC)O)C(=O)C(CCC)CCC)N
Structure:
CAS RN: 138400-06-3
CAS Name: 3-(2-mercaptoethyl)-1H-quinazoline-2,4-dione
OPENEYE Name: 3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
IUPAC Name: 3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCS
Structure:
CAS RN: 138384-42-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26N4O3S
MOLECULAR WEIGHT: 450.55324
SMILES: CCN(CC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2)C3=C4C=CC=C5C4=C(C=C3)NC5=O
Structure:
CAS RN: 138331-04-1
CAS Name: 1-ethyl-3-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5,5-dimethyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C23H28N4O2S
MOLECULAR WEIGHT: 424.55902
SMILES: CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
Structure:
CAS RN: 138330-11-7
CAS Name: 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(trifluoromethyl)-4-imidazolol
OPENEYE Name: 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(trifluoromethyl)imidazol-4-ol
IUPAC Name: 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(trifluoromethyl)imidazol-4-ol
SYSTEMATIC NAME: 2-propyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(trifluoromethyl)imidazol-4-ol
MOLECULAR FORMULA: C21H19F3N6O
MOLECULAR WEIGHT: 428.41037
SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)O)C(F)(F)F
Structure:
CAS RN: 138320-33-9
CAS Name: 3-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]thio]propyl]-4-thiazolidinecarboxylic acid
OPENEYE Name: 3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]thiazolidine-4-carboxylic acid
IUPAC Name: 3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3-(2-thiophen-2-ylcarbonylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C12H13NO4S3
MOLECULAR WEIGHT: 331.43092
SMILES: CC(C(=O)N1CSCC1C(=O)O)SC(=O)C2=CC=CS2
Structure:
CAS RN: 138261-30-0
CAS Name: (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-methyl-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloranyl-3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C29H31ClO13
MOLECULAR WEIGHT: 623.00164
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7Cl)OC)O)OC)O)O
Structure:
CAS RN: 138250-72-3
CAS Name: 2,3-bis(1H-indol-3-ylmethyl)-1H-indole
OPENEYE Name: 2,3-bis(1H-indol-3-ylmethyl)-1H-indole
IUPAC Name: 2,3-bis(1H-indol-3-ylmethyl)-1H-indole
SYSTEMATIC NAME: 2,3-bis(1H-indol-3-ylmethyl)-1H-indole
MOLECULAR FORMULA: C26H21N3
MOLECULAR WEIGHT: 375.46504
SMILES: C1=CC=C2C(=C1)C(=CN2)CC3=C(NC4=CC=CC=C43)CC5=CNC6=CC=CC=C65
Structure:
CAS RN: 138230-31-6
CAS Name: 2-acetyloxybenzoic acid; 2-hydroxybenzoic acid methyl ester; 2-hydroxybenzoic acid propyl ester
OPENEYE Name: 2-acetoxybenzoic acid; methyl 2-hydroxybenzoate; propyl 2-hydroxybenzoate
IUPAC Name: 2-acetyloxybenzoic acid; methyl 2-hydroxybenzoate; propyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; methyl 2-oxidanylbenzoate; propyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C27H28O10
MOLECULAR WEIGHT: 512.50522
SMILES: CCCOC(=O)C1=CC=CC=C1O.CC(=O)OC1=CC=CC=C1C(=O)O.COC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 138230-26-9
CAS Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid
OPENEYE Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid
IUPAC Name: benzoic acid; 2-hydroxybenzoic acid; 2-hydroxybutanedioic acid
SYSTEMATIC NAME: benzoic acid; 2-oxidanylbenzoic acid; 2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C18H18O10
MOLECULAR WEIGHT: 394.32952
SMILES: C1=CC=C(C=C1)C(=O)O.C1=CC=C(C(=C1)C(=O)O)O.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 138230-25-8
CAS Name: 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
OPENEYE Name: 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
IUPAC Name: 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-chloranyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H10ClN7O5S2
MOLECULAR WEIGHT: 431.8347
SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2.C1=C2C(=NC=NC2=O)NN1
Structure:
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