CAS RN: 32451-23-3
CAS Name: (3S)-3,5-dihydroxy-3-methylpentanoic acid
OPENEYE Name: (3S)-3,5-dihydroxy-3-methyl-pentanoic acid
IUPAC Name: (3S)-3,5-dihydroxy-3-methylpentanoic acid
SYSTEMATIC NAME: (3S)-3-methyl-3,5-bis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: C[C@](CCO)(CC(=O)O)O
Structure:
CAS RN: 33376-91-9
CAS Name: (3S)-3,5-dihydroxy-3-methylpentanoic acid
OPENEYE Name: (3S)-3,5-dihydroxy-3-methyl-pentanoic acid
IUPAC Name: (3S)-3,5-dihydroxy-3-methylpentanoic acid
SYSTEMATIC NAME: (3S)-3-methyl-3,5-bis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: C[C@](CCO)(CC(=O)O)O
Structure:
CAS RN: 3309-78-2
CAS Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]urea
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]urea
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]urea
SYSTEMATIC NAME: 1-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]urea
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC(=O)N)CCC4=CC(=O)C=C[C@]34C
Structure:
CAS RN: 33227-10-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H32BrN3O9
MOLECULAR WEIGHT: 634.47238
SMILES: CN1C[C@@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=C[NH+]=C5)Br.[C@@H](C(C(=O)O)O)(C(=O)[O-])O
Structure:
CAS RN: 32222-75-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H32BrN3O9
MOLECULAR WEIGHT: 634.47238
SMILES: CN1C[C@@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=C[NH+]=C5)Br.[C@@H](C(C(=O)O)O)(C(=O)[O-])O
Structure:
CAS RN: 31804-66-7
CAS Name: 6-(2,6-dioxo-3-piperidinyl)pyrrolo[3,4-b]pyridine-5,7-dione
OPENEYE Name: 6-(2,6-dioxo-3-piperidyl)pyrrolo[3,4-b]pyridine-5,7-dione
IUPAC Name: 6-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SYSTEMATIC NAME: 6-[2,6-bis(oxidanylidene)piperidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
MOLECULAR FORMULA: C12H9N3O4
MOLECULAR WEIGHT: 259.21756
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)N=CC=C3
Structure:
CAS RN: 31327-55-6
CAS Name: 2-amino-N-(1,5,6-trihydroxy-3-methyl-8-oxo-3,4,4a,5,6,7-hexahydro-2-benzopyran-4-yl)propanamide; sulfuric acid
OPENEYE Name: 2-amino-N-(1,5,6-trihydroxy-3-methyl-8-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl)propanamide; sulfuric acid
IUPAC Name: 2-amino-N-(1,5,6-trihydroxy-3-methyl-8-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl)propanamide; sulfuric acid
SYSTEMATIC NAME: 2-azanyl-N-[3-methyl-1,5,6-tris(oxidanyl)-8-oxidanylidene-3,4,4a,5,6,7-hexahydroisochromen-4-yl]propanamide; sulfuric acid
MOLECULAR FORMULA: C13H22N2O10S
MOLECULAR WEIGHT: 398.38618
SMILES: CC1C(C2C(C(CC(=O)C2=C(O1)O)O)O)NC(=O)C(C)N.OS(=O)(=O)O
Structure:
CAS RN: 31586-77-3
CAS Name: bismuth sodium 2,3-dihydroxybutanedioate
OPENEYE Name: bismuth sodium 2,3-dihydroxybutanedioate
IUPAC Name: bismuth sodium 2,3-dihydroxybutanedioate
SYSTEMATIC NAME: bismuth sodium 2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C8H8BiNaO12
MOLECULAR WEIGHT: 528.11207
SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Bi+3]
Structure:
CAS RN: 91411-76-6
CAS Name: [2-[3-(3-$l^{1}-oxidanyl-2,4,4-trimethyl-2-oxazolidinyl)-1-oxopropoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-hexadecanoyloxy-2-[3-(3-$l^{1}-oxidanyl-2,4,4-trimethyl-oxazolidin-2-yl)propanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-hexadecanoyloxy-2-[3-(3-$l^{1}-oxidanyl-2,4,4-trimethyl-1,3-oxazolidin-2-yl)propanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[3-(3-$l^{1}-oxidanyl-2,4,4-trimethyl-1,3-oxazolidin-2-yl)propanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C33H64N2O10P
MOLECULAR WEIGHT: 679.842421
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC1(N(C(CO1)(C)C)[O])C
Structure:
CAS RN: 30925-07-6
CAS Name: 2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid dihydrochloride
OPENEYE Name: 2-amino-3-[[(2R)-2-amino-2-carboxy-ethyl]disulfanyl]propanoic acid dihydrochloride
IUPAC Name: 2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid dihydrochloride
SYSTEMATIC NAME: 2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid dihydrochloride
MOLECULAR FORMULA: C6H14Cl2N2O4S2
MOLECULAR WEIGHT: 313.22236
SMILES: C([C@@H](C(=O)O)N)SSCC(C(=O)O)N.Cl.Cl
Structure:
CAS RN: 28002-18-8
CAS Name: disodium 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenyl-2-sulfonatoethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
OPENEYE Name: disodium 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonato-acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: disodium 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonatoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: disodium 3,3-dimethyl-7-oxidanylidene-6-[(2-phenyl-2-sulfonato-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C16H16N2Na2O7S2
MOLECULAR WEIGHT: 458.41698
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
Structure:
CAS RN: 27722-09-4
CAS Name: sulfuric acid [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C21H34O5S
MOLECULAR WEIGHT: 398.55666
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)O
Structure:
CAS RN: 85179-51-7
CAS Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid
OPENEYE Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
MOLECULAR FORMULA: C13H18N5O7P
MOLECULAR WEIGHT: 387.285081
SMILES: CC1=NC=CN1P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O
Structure:
CAS RN: 26264-14-2
CAS Name: propane-1,1-diol
OPENEYE Name: propane-1,1-diol
IUPAC Name: propane-1,1-diol
SYSTEMATIC NAME: propane-1,1-diol
MOLECULAR FORMULA: C3H8O2
MOLECULAR WEIGHT: 76.09442
SMILES: CCC(O)O
Structure:
CAS RN: 2539-21-1
CAS Name: 1-chloro-3-[10-(3-chloro-2-hydroxypropoxy)decoxy]-2-propanol
OPENEYE Name: 1-chloro-3-[10-(3-chloro-2-hydroxy-propoxy)decoxy]propan-2-ol
IUPAC Name: 1-chloro-3-[10-(3-chloro-2-hydroxypropoxy)decoxy]propan-2-ol
SYSTEMATIC NAME: 1-chloranyl-3-[10-(3-chloranyl-2-oxidanyl-propoxy)decoxy]propan-2-ol
MOLECULAR FORMULA: C16H32Cl2O4
MOLECULAR WEIGHT: 359.32888
SMILES: C(CCCCCOCC(CCl)O)CCCCOCC(CCl)O
Structure:
CAS RN: 24587-41-5
CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)N
Structure:
CAS RN: 24516-38-9
CAS Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-bromo-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-bromo-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-bromo-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6R,8S,9S,10R,13S,14S,17S)-6-bromanyl-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29BrO2
MOLECULAR WEIGHT: 393.35776
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)Br)C
Structure:
CAS RN: 85178-52-5
CAS Name: 4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
OPENEYE Name: 4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
IUPAC Name: 4,6a,7,12-tetrahydroxy-8-methoxy-3-methyl-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
SYSTEMATIC NAME: 8-methoxy-3-methyl-4,6a,7,12-tetrakis(oxidanyl)-2,3,4,7,12,12a-hexahydrobenzo[a]anthracen-1-one
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: CC1CC(=O)C2=C(C1O)C=CC3(C2C(C4=C(C3O)C(=CC=C4)OC)O)O
Structure:
CAS RN: 25913-34-2
CAS Name: 2-amino-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
IUPAC Name: ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 2-azanyl-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C17H21ClN2O2S
MOLECULAR WEIGHT: 352.87884
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.Cl
Structure:
CAS RN: 91168-70-6
CAS Name: 6-hydroxy-4-oxoheptanoic acid
OPENEYE Name: 6-hydroxy-4-oxo-heptanoic acid
IUPAC Name: 6-hydroxy-4-oxoheptanoic acid
SYSTEMATIC NAME: 6-oxidanyl-4-oxidanylidene-heptanoic acid
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC(CC(=O)CCC(=O)O)O
Structure:
CAS RN: 85048-88-0
CAS Name: 5-amino-5-hydroxy-1,3-diazinane-2,4,6-trione hydrochloride
OPENEYE Name: 5-amino-5-hydroxy-hexahydropyrimidine-2,4,6-trione hydrochloride
IUPAC Name: 5-amino-5-hydroxy-1,3-diazinane-2,4,6-trione hydrochloride
SYSTEMATIC NAME: 5-azanyl-5-oxidanyl-1,3-diazinane-2,4,6-trione hydrochloride
MOLECULAR FORMULA: C4H6ClN3O4
MOLECULAR WEIGHT: 195.56114
SMILES: C1(=O)C(C(=O)NC(=O)N1)(N)O.Cl
Structure:
CAS RN: 91062-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O8
MOLECULAR WEIGHT: 428.43186
SMILES: CC(C)([C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O
Structure:
CAS RN: 97975-46-7
CAS Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
OPENEYE Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
IUPAC Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CNCC(C1=CC(=CC=C1)OC)O
Structure:
CAS RN: 84989-50-4
CAS Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
OPENEYE Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
IUPAC Name: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-(methylamino)ethanol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CNCC(C1=CC(=CC=C1)OC)O
Structure:
CAS RN: 90996-29-5
CAS Name: formic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(1R)-1-methyl-4-oxo-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
IUPAC Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dimethanoyloxy-10,13-dimethyl-17-[(2R)-5-oxidanylidenepentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C27H40O7
MOLECULAR WEIGHT: 476.6023
SMILES: C[C@H](CCC=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)OC=O)C
Structure:
CAS RN: 59664-01-6
CAS Name: 1-[2-[2-(tert-butylamino)-1-hydroxyethyl]-7-benzofuranyl]ethanone
OPENEYE Name: 1-[2-[2-(tert-butylamino)-1-hydroxy-ethyl]benzofuran-7-yl]ethanone
IUPAC Name: 1-[2-[2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl]ethanone
SYSTEMATIC NAME: 1-[2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-1-benzofuran-7-yl]ethanone
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(=O)C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O
Structure:
CAS RN: 90979-65-0
CAS Name: (2S)-1-[[(2S)-1-(2,2-dimethyl-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H24N2O4
MOLECULAR WEIGHT: 296.36206
SMILES: CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 90923-51-6
CAS Name: (2R)-2-amino-2-methyl-3-sulfinopropanoic acid
OPENEYE Name: (2R)-2-amino-2-methyl-3-sulfino-propanoic acid
IUPAC Name: (2R)-2-amino-2-methyl-3-sulfinopropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-2-methyl-3-sulfino-propanoic acid
MOLECULAR FORMULA: C4H9NO4S
MOLECULAR WEIGHT: 167.18356
SMILES: C[C@](CS(=O)O)(C(=O)O)N
Structure:
CAS RN: 8076-37-7
CAS Name: 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
OPENEYE Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyrimidine-2,4-diamine
IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 4-azanyl-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C26H32N8O6S
MOLECULAR WEIGHT: 584.64728
SMILES: CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC.COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
Structure:
CAS RN: 90783-54-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: CN1CCC23[C@H]4C(CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)N
Structure:
CAS RN: 2401-97-0
CAS Name: 1,1,3-tribromopropane
OPENEYE Name: 1,1,3-tribromopropane
IUPAC Name: 1,1,3-tribromopropane
SYSTEMATIC NAME: 1,1,3-tris(bromanyl)propane
MOLECULAR FORMULA: C3H5Br3
MOLECULAR WEIGHT: 280.7838
SMILES: C(CBr)C(Br)Br
Structure:
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