CAS RN: 75536-36-6
CAS Name: 1-(4-chlorophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanol hydrochloride
OPENEYE Name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-ol hydrochloride
IUPAC Name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-ol hydrochloride
MOLECULAR FORMULA: C15H20Cl2N2O2
MOLECULAR WEIGHT: 331.2375
SMILES: CC(C)(C)C(C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)O.Cl
Structure:
CAS RN: 861998-00-7
CAS Name: 2-amino-N-[(2R)-1-[(3R)-3-[[dimethylamino(methyl)amino]-oxomethyl]-3-(phenylmethyl)-1-piperidinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide hydrochloride
OPENEYE Name: 2-amino-N-[(1R)-2-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]-1-piperidyl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-methyl-propanamide hydrochloride
IUPAC Name: 2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide hydrochloride
MOLECULAR FORMULA: C31H43ClN6O3
MOLECULAR WEIGHT: 583.16452
SMILES: CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N.Cl
Structure:
CAS RN: 87953-16-0
CAS Name: (E)-5-chloro-2-propan-2-yl-4-pentenoic acid
OPENEYE Name: (E)-5-chloro-2-isopropyl-pent-4-enoic acid
IUPAC Name: (E)-5-chloro-2-propan-2-ylpent-4-enoic acid
SYSTEMATIC NAME: (E)-5-chloranyl-2-propan-2-yl-pent-4-enoic acid
MOLECULAR FORMULA: C8H13ClO2
MOLECULAR WEIGHT: 176.64062
SMILES: CC(C)C(C/C=C/Cl)C(=O)O
Structure:
CAS RN: 117933-89-8
CAS Name: 5-butan-2-yl-2-(2,4-dimethyl-1-cyclohex-3-enyl)-5-methyl-1,3-dioxane
OPENEYE Name: 2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-5-sec-butyl-1,3-dioxane
IUPAC Name: 5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
SYSTEMATIC NAME: 5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CCC(C)C1(COC(OC1)C2CCC(=CC2C)C)C
Structure:
CAS RN: 791828-58-5
CAS Name: (5S,6S)-5-[(hydroxyamino)-oxomethyl]-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-7-azaspiro[2.5]octane-7-carboxylic acid methyl ester
OPENEYE Name: methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate
IUPAC Name: methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate
SYSTEMATIC NAME: methyl (5S,6S)-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-7-azaspiro[2.5]octane-7-carboxylate
MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO
Structure:
CAS RN: 15578-68-4
CAS Name: carbane
OPENEYE Name: carbane
IUPAC Name: carbane
SYSTEMATIC NAME: carbane
MOLECULAR FORMULA: CH4
MOLECULAR WEIGHT: 14.048613
SMILES: [10CH4]
Structure:
CAS RN: 14122-18-0
CAS Name: (2R)-2-[(2S,3S,4R)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyacetaldehyde
OPENEYE Name: (2R)-2-[(2S,3S,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde
IUPAC Name: (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde
SYSTEMATIC NAME: (2R)-2-[(2S,3S,4R)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanal
MOLECULAR FORMULA: C6H10O5
MOLECULAR WEIGHT: 162.1406
SMILES: C1[C@H]([C@@H]([C@H](O1)[C@H](C=O)O)O)O
Structure:
CAS RN: 7625-23-2
CAS Name: (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyacetaldehyde
OPENEYE Name: (2R)-2-[(2S,3R,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde
IUPAC Name: (2R)-2-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde
SYSTEMATIC NAME: (2R)-2-[(2S,3R,4R)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanal
MOLECULAR FORMULA: C6H10O5
MOLECULAR WEIGHT: 162.1406
SMILES: C1[C@H]([C@H]([C@H](O1)[C@H](C=O)O)O)O
Structure:
CAS RN: 924296-39-9
CAS Name: 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
OPENEYE Name: 7-chloro-9-oxo-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
IUPAC Name: 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 7-chloranyl-9-oxidanylidene-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C13H3ClN4O
MOLECULAR WEIGHT: 266.64212
SMILES: C1=CC2=C(C=C1Cl)C(=O)C3=NC(=C(N=C23)C#N)C#N
Structure:
CAS RN: 114488-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)([C@]5(C4)CO5)O)(C)C(=O)O
Structure:
CAS RN: 357336-74-4
CAS Name: (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxo-1-pyrrolidinyl]butanamide
OPENEYE Name: (2R)-2-[(4S)-4-(2,2-difluorovinyl)-2-oxo-pyrrolidin-1-yl]butanamide
IUPAC Name: (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide
SYSTEMATIC NAME: (2R)-2-[(4S)-4-[2,2-bis(fluoranyl)ethenyl]-2-oxidanylidene-pyrrolidin-1-yl]butanamide
MOLECULAR FORMULA: C10H14F2N2O2
MOLECULAR WEIGHT: 232.227166
SMILES: CC[C@H](C(=O)N)N1C[C@@H](CC1=O)C=C(F)F
Structure:
CAS RN: 24687-31-8
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole bromide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzoselenazole bromide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole bromide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzoselenazole bromide
MOLECULAR FORMULA: C22H23BrN2Se2
MOLECULAR WEIGHT: 553.25542
SMILES: CCN\1C2=CC=CC=C2[Se]/C1=C\C(=C\C3=[N+](C4=CC=CC=C4[Se]3)CC)\C.[Br-]
Structure:
CAS RN: 20316-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22N2
MOLECULAR WEIGHT: 242.35928
SMILES: C[C@@H]1C[C@@H]2CC3=C(C=CC=N3)[C@]4(C1)[C@@H]2CCCN4
Structure:
CAS RN: 14263-01-5
CAS Name: 2-hydroxybenzaldehyde; nickel
OPENEYE Name: 2-hydroxybenzaldehyde; nickel
IUPAC Name: 2-hydroxybenzaldehyde; nickel
SYSTEMATIC NAME: nickel; 2-oxidanylbenzaldehyde
MOLECULAR FORMULA: C14H12NiO4
MOLECULAR WEIGHT: 302.93608
SMILES: C1=CC=C(C(=C1)C=O)O.C1=CC=C(C(=C1)C=O)O.[Ni]
Structure:
CAS RN: 31188-32-6
CAS Name: zinc (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-3-pyrrolylidene]methanolate
OPENEYE Name: zinc (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
IUPAC Name: zinc (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-3-ylidene]methanolate
SYSTEMATIC NAME: zinc (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
MOLECULAR FORMULA: C38H46N4O8Zn
MOLECULAR WEIGHT: 752.20284
SMILES: CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.[Zn+2]
Structure:
CAS RN: 14074-96-5
CAS Name: (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-3-pyrrolylidene]methanolate; nickel(2+)
OPENEYE Name: nickelous (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
IUPAC Name: (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-3-ylidene]methanolate; nickel(2+)
SYSTEMATIC NAME: (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate; nickel(2+)
MOLECULAR FORMULA: C38H46N4NiO8
MOLECULAR WEIGHT: 745.48724
SMILES: CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.[Ni+2]
Structure:
CAS RN: 14564-48-8
CAS Name: cobalt(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-3-pyrrolylidene]methanolate
OPENEYE Name: cobaltous (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
IUPAC Name: cobalt(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-3-ylidene]methanolate
SYSTEMATIC NAME: cobalt(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
MOLECULAR FORMULA: C38H46CoN4O8
MOLECULAR WEIGHT: 745.72704
SMILES: CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.[Co+2]
Structure:
CAS RN: 31188-33-7
CAS Name: cadmium(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-3-pyrrolylidene]methanolate
OPENEYE Name: cadmium(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
IUPAC Name: cadmium(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-3-ylidene]methanolate
SYSTEMATIC NAME: cadmium(2+); (E)-ethoxy-[5-[(Z)-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-pyrrol-3-ylidene]methanolate
MOLECULAR FORMULA: C38H46CdN4O8
MOLECULAR WEIGHT: 799.20484
SMILES: CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(/C(=C(\OCC)/[O-])/C(=N2)C)C)/N=C1C)C.[Cd+2]
Structure:
CAS RN: 2606-50-0
CAS Name: (10S)-10-nonacosanol
OPENEYE Name: (10S)-nonacosan-10-ol
IUPAC Name: (10S)-nonacosan-10-ol
SYSTEMATIC NAME: (10S)-nonacosan-10-ol
MOLECULAR FORMULA: C29H60O
MOLECULAR WEIGHT: 424.7861
SMILES: CCCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCC)O
Structure:
CAS RN: 62-33-9
CAS Name: calcium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: calcium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC Name: calcium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: calcium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H12CaN2O8-2
MOLECULAR WEIGHT: 328.28888
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Ca+2]
Structure:
CAS RN: 6971-96-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H40N4O2
MOLECULAR WEIGHT: 584.7498
SMILES: C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@@H]2[C@@]16[C@H]5N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N4C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C61
Structure:
CAS RN: 37853-41-1
CAS Name: magnesium; 1-decanolate; 2-propanolate
OPENEYE Name: magnesium; decan-1-olate; propan-2-olate
IUPAC Name: magnesium; decan-1-olate; propan-2-olate
SYSTEMATIC NAME: magnesium; decan-1-olate; propan-2-olate
MOLECULAR FORMULA: C13H28MgO2
MOLECULAR WEIGHT: 240.66522
SMILES: CCCCCCCCCC[O-].CC(C)[O-].[Mg+2]
Structure:
CAS RN: 22578-24-1
CAS Name: 2-hydroxybenzaldehyde; nickel; dihydrate
OPENEYE Name: 2-hydroxybenzaldehyde; nickel; dihydrate
IUPAC Name: 2-hydroxybenzaldehyde; nickel; dihydrate
SYSTEMATIC NAME: nickel; 2-oxidanylbenzaldehyde; dihydrate
MOLECULAR FORMULA: C14H16NiO6
MOLECULAR WEIGHT: 338.96664
SMILES: C1=CC=C(C(=C1)C=O)O.C1=CC=C(C(=C1)C=O)O.O.O.[Ni]
Structure:
CAS RN: 767274-94-2
CAS Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyanilino)-oxomethyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C33H35FN2O6
MOLECULAR WEIGHT: 579.670012
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=C(C=C3)O)C(C)C)CC[C@@H](C[C@@H](CC(=O)O)O)O)C4=CC=C(C=C4)F)[2H])[2H]
Structure:
CAS RN: 15251-48-6
CAS Name: calcium (6aS,8Z,10S,10aR,11S,11aR,12S)-8-[amino(oxido)methylidene]-10-(dimethylamino)-4,6a,11,12-tetrahydroxy-12-methyl-6,7,9-trioxo-10,10a,11,11a-tetrahydrotetracen-5-olate
OPENEYE Name: calcium (6aS,8Z,10S,10aR,11S,11aR,12S)-8-[amino(oxido)methylene]-10-(dimethylamino)-4,6a,11,12-tetrahydroxy-12-methyl-6,7,9-trioxo-10,10a,11,11a-tetrahydrotetracen-5-olate
IUPAC Name: calcium (6aS,8Z,10S,10aR,11S,11aR,12S)-8-[amino(oxido)methylidene]-10-(dimethylamino)-4,6a,11,12-tetrahydroxy-12-methyl-6,7,9-trioxo-10,10a,11,11a-tetrahydrotetracen-5-olate
SYSTEMATIC NAME: calcium (6aS,8Z,10S,10aR,11S,11aR,12S)-8-[azanyl(oxidanidyl)methylidene]-10-(dimethylamino)-12-methyl-4,6a,11,12-tetrakis(oxidanyl)-6,7,9-tris(oxidanylidene)-10,10a,11,11a-tetrahydrotetracen-5-olate
MOLECULAR FORMULA: C22H22CaN2O9
MOLECULAR WEIGHT: 498.49608
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/[O-])/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)N(C)C)O)O.[Ca+2]
Structure:
CAS RN: 209216-23-9
CAS Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one hydrate
OPENEYE Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one hydrate
IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one hydrate
SYSTEMATIC NAME: 2-azanyl-9-[(1S,3R,4S)-3-(hydroxymethyl)-2-methylidene-4-oxidanyl-cyclopentyl]-3H-purin-6-one hydrate
MOLECULAR FORMULA: C12H17N5O4
MOLECULAR WEIGHT: 295.29448
SMILES: C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
Structure:
CAS RN: 226700-81-8
CAS Name: calcium N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester
OPENEYE Name: calcium [(3S)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-phosphonooxy-propyl]carbamate
IUPAC Name: calcium [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
SYSTEMATIC NAME: calcium [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamate
MOLECULAR FORMULA: C25H36CaN3O9PS+2
MOLECULAR WEIGHT: 625.684801
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
Structure:
CAS RN: 1221-56-3
CAS Name: sodium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid
OPENEYE Name: sodium 3-[3-(dimethylaminomethyleneamino)-2,4,6-triiodo-phenyl]propanoic acid
IUPAC Name: sodium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid
SYSTEMATIC NAME: sodium 3-[3-(dimethylaminomethylideneamino)-2,4,6-tris(iodanyl)phenyl]propanoic acid
MOLECULAR FORMULA: C12H13I3N2NaO2+
MOLECULAR WEIGHT: 620.947
SMILES: CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I.[Na+]
Structure:
CAS RN: 17795-21-0
CAS Name: sodium 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
OPENEYE Name: sodium 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
IUPAC Name: sodium 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: sodium 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C5H4N4NaO+
MOLECULAR WEIGHT: 159.10123
SMILES: C1=C2C(=NC=NC2=O)NN1.[Na+]
Structure:
CAS RN: 1404-90-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H75Cl2N9O24
MOLECULAR WEIGHT: 1449.2536
SMILES: C[C@H]1C([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)[C@@H](CC
Structure:
CAS RN: 23067-13-2
CAS Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;
OPENEYE Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetr
IUPAC Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; (2R,
SYSTEMATIC NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-d
MOLECULAR FORMULA: C44H81NO21
MOLECULAR WEIGHT: 960.10804
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 21462-39-5
CAS Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide hydrochloride
OPENEYE Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide hydrochloride
IUPAC Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: (2S,4R)-N-[(1S,2S)-2-chloranyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C18H34Cl2N2O5S
MOLECULAR WEIGHT: 461.44396
SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.Cl
Structure:
CAS RN: 64-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H40N2O10S
MOLECULAR WEIGHT: 668.7538
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.OS(=O)(=O)O
Structure:
CAS RN: 54-42-2
CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione
OPENEYE Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11IN2O5
MOLECULAR WEIGHT: 354.09851
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)I)CO)O
Structure:
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