CAS RN: 136723-16-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CCCN1CC2=CC=CC3=C2N(CC1C)C(=O)C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 136723-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O6
MOLECULAR WEIGHT: 388.41436
SMILES: CC1CN2C3=C(CN1CC4CCC4)C=CC=C3OC2=O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 136722-93-5
CAS Name: (Z)-2-butenedioic acid; (3S)-7-chloro-4-(cyclopropylmethyl)-N,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide
OPENEYE Name: (3S)-7-chloro-4-(cyclopropylmethyl)-N,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (3S)-7-chloro-4-(cyclopropylmethyl)-N,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (3S)-7-chloranyl-4-(cyclopropylmethyl)-N,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide
MOLECULAR FORMULA: C20H26ClN3O4S
MOLECULAR WEIGHT: 439.95614
SMILES: C[C@H]1CN(C2=C(CN1CC3CC3)C=C(C=C2)Cl)C(=S)NC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 136722-91-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25ClN6O4
MOLECULAR WEIGHT: 448.9033
SMILES: CC1CN2C3=C(C=C(C=C3CN1CC4CC4)Cl)N=C2N=C(N)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 41598-07-6
CAS Name: (Z)-7-[(1R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,5S)-5-oxidanyl-3-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CCCCC[C@@H](/C=C/C1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 62-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H49NO9
MOLECULAR WEIGHT: 591.73276
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O[C@@]24C[C@]5([C@@H]6CN7C[C@H](CCC7[C@@]([C@]6([C@H](C[C@]5([C@@H]4CC3)O)O)O)(C)O)C)O)O)C
Structure:
CAS RN: 15585-38-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H49NO9
MOLECULAR WEIGHT: 591.73276
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O[C@@]24C[C@]5([C@@H]6CN7C[C@H](CCC7[C@@]([C@]6([C@H](C[C@]5([C@@H]4CC3)O)O)O)(C)O)C)O)O)C
Structure:
CAS RN: 7770-31-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H49NO9
MOLECULAR WEIGHT: 591.73276
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@]2([C@H]3[C@@]1(O[C@@]24C[C@]5([C@@H]6CN7C[C@H](CCC7[C@@]([C@]6([C@H](C[C@]5([C@@H]4CC3)O)O)O)(C)O)C)O)O)C
Structure:
CAS RN: 124-87-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H34O13
MOLECULAR WEIGHT: 602.58316
SMILES: CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
Structure:
CAS RN: 2673-40-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: C/C=C\1/CN[C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34
Structure:
CAS RN: 6871-44-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H29N2O4+
MOLECULAR WEIGHT: 385.47666
SMILES: C/C=C\1/C[N+]2(CC[C@]34[C@@]2([C@H](C[C@H]1[C@]3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
Structure:
CAS RN: 468-76-8
CAS Name: (2E)-2-[(1R,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl (2E)-2-[(1R,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
IUPAC Name: 2-(dimethylamino)ethyl (2E)-2-[(1R,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl (2E)-2-[(1R,4bR,7S,8aR,10aS)-1,4b,8,8-tetramethyl-7-oxidanyl-10-oxidanylidene-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]ethanoate
MOLECULAR FORMULA: C24H39NO4
MOLECULAR WEIGHT: 405.57076
SMILES: C[C@@H]\1[C@H]2C(CC/C1=C\C(=O)OCCN(C)C)[C@]3(CC[C@@H](C([C@@H]3CC2=O)(C)C)O)C
Structure:
CAS RN: 126233-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: C/C=C\CN1CC2=C3C(=CC=C2)NC(=O)N3CC1C
Structure:
CAS RN: 126233-97-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: C/C=C/CN1CC2=C3C(=CC=C2)NC(=O)N3CC1C
Structure:
CAS RN: 6078-17-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H40N2O6
MOLECULAR WEIGHT: 608.7233
SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=CC=C4)OC5=CC(=C(C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O3)C=C5)O)OC)OC
Structure:
CAS RN: 23110-15-8
CAS Name: (2E,4E,6E,8E)-10-[[(3S,6S,7R,8R)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-10-[[(3S,6S,7R,8R)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxy]-10-oxo-deca-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-10-[[(3S,6S,7R,8R)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-10-[[(3S,6S,7R,8R)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxy]-10-oxidanylidene-deca-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@@H]2[C@H]([C@H](CC[C@@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C
Structure:
CAS RN: 59054-50-1
CAS Name: molybdenum; oxygen(2-); tetrabutylammonium
OPENEYE Name: molybdenum; oxygen(2-); tetrabutylammonium
IUPAC Name: molybdenum; oxygen(2-); tetrabutylazanium
SYSTEMATIC NAME: molybdenum; oxygen(2-); tetrabutylazanium
MOLECULAR FORMULA: C64H144Mo8N4O26-48
MOLECULAR WEIGHT: 2153.35936
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
Structure:
CAS RN: 129572-47-0
CAS Name: oxygen(2-); tetramethylammonium; tungsten
OPENEYE Name: oxygen(2-); tetramethylammonium; tungsten
IUPAC Name: oxygen(2-); tetramethylazanium; tungsten
SYSTEMATIC NAME: oxygen(2-); tetramethylazanium; tungsten
MOLECULAR FORMULA: C16H48N4O32W10-60
MOLECULAR WEIGHT: 2646.95992
SMILES: C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W]
Structure:
CAS RN: 130466-13-6
CAS Name: (Z)-9-octadecenoic acid [(2R)-1-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester
OPENEYE Name: [(1R)-1-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (Z)-octadec-9-enoate
IUPAC Name: [(2R)-1-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R)-1-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C47H82N5O11P
MOLECULAR WEIGHT: 924.154641
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 130394-75-1
CAS Name: (Z)-9-octadecenoic acid [(2R)-1-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester
OPENEYE Name: [(1R)-1-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (Z)-octadec-9-enoate
IUPAC Name: [(2R)-1-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R)-1-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C47H82N5O11P
MOLECULAR WEIGHT: 924.154641
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 83314-01-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H68O17
MOLECULAR WEIGHT: 905.03262
SMILES: CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/CC(O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O
Structure:
CAS RN: 126261-64-1
CAS Name: 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H]2CO)CO
Structure:
CAS RN: 79551-91-0
CAS Name: [[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-prop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-5-[(E)-prop-1-enyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C12H19N2O14P3
MOLECULAR WEIGHT: 508.205543
SMILES: C/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 10534-74-4
CAS Name: (6E)-4-amino-6-[[4-[(E)-2-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfo-2-naphthalenylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonic acid
OPENEYE Name: (6E)-4-amino-6-[[4-[(E)-2-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfo-2-naphthylidene)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-5-oxo-naphthalene-1,3-disulfonic acid
IUPAC Name: (6E)-4-amino-6-[[4-[(E)-2-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfonaphthalen-2-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: (6E)-4-azanyl-6-[[4-[(E)-2-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-5,7-disulfo-naphthalen-2-ylidene)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C34H26N6O20S6
MOLECULAR WEIGHT: 1030.98844
SMILES: C1=CC(=C(C=C1N/N=C/2\C=CC3=C(C2=O)C(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)N/N=C\5/C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O
Structure:
CAS RN: 81528-71-4
CAS Name: N'-(2-methyl-4-quinolinyl)ethane-1,2-diamine
OPENEYE Name: N'-(2-methyl-4-quinolyl)ethane-1,2-diamine
IUPAC Name: N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC1=NC2=CC=CC=C2C(=C1)NCCN
Structure:
CAS RN: 887599-64-6
CAS Name: 3-[(3-fluorophenyl)methoxy]benzoic acid
OPENEYE Name: 3-[(3-fluorophenyl)methoxy]benzoic acid
IUPAC Name: 3-[(3-fluorophenyl)methoxy]benzoic acid
SYSTEMATIC NAME: 3-[(3-fluorophenyl)methoxy]benzoic acid
MOLECULAR FORMULA: C14H11FO3
MOLECULAR WEIGHT: 246.233743
SMILES: C1=CC(=CC(=C1)F)COC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 405-24-3
CAS Name: 4-[(2-fluorophenyl)methoxy]benzoic acid
OPENEYE Name: 4-[(2-fluorophenyl)methoxy]benzoic acid
IUPAC Name: 4-[(2-fluorophenyl)methoxy]benzoic acid
SYSTEMATIC NAME: 4-[(2-fluorophenyl)methoxy]benzoic acid
MOLECULAR FORMULA: C14H11FO3
MOLECULAR WEIGHT: 246.233743
SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)O)F
Structure:
CAS RN: 37760-54-6
CAS Name: 3-phenyl-1,2,4-oxadiazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
IUPAC Name: ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CCOC(=O)C1=NC(=NO1)C2=CC=CC=C2
Structure:
CAS RN: 89499-38-7
CAS Name: 4-amino-2-thiophenecarboxylic acid
OPENEYE Name: 4-aminothiophene-2-carboxylic acid
IUPAC Name: 4-aminothiophene-2-carboxylic acid
SYSTEMATIC NAME: 4-azanylthiophene-2-carboxylic acid
MOLECULAR FORMULA: C5H5NO2S
MOLECULAR WEIGHT: 143.1637
SMILES: C1=C(SC=C1N)C(=O)O
Structure:
CAS RN: 22903-30-6
CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-phenylethanone hydrobromide
OPENEYE Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenyl-ethanone hydrobromide
IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenyl-ethanone hydrobromide
MOLECULAR FORMULA: C15H13BrN2OS
MOLECULAR WEIGHT: 349.24552
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2.Br
Structure:
CAS RN: 2328-12-3
CAS Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
OPENEYE Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
SYSTEMATIC NAME: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: COC1=C(C=C2CNCCC2=C1)OC.Cl
Structure:
CAS RN: 341031-54-7
CAS Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid
OPENEYE Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid
IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C26H33FN4O7
MOLECULAR WEIGHT: 532.561223
SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O
Structure:
CAS RN: 256411-32-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H27N3O4
MOLECULAR WEIGHT: 433.49958
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O
Structure:
CAS RN: 250386-15-3
CAS Name: 4-[3-[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]prop-2-ynyl]-1-cyclohexanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-[3-[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]prop-2-ynyl]cyclohexanecarboxylate
IUPAC Name: methyl 4-[3-[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
SYSTEMATIC NAME: methyl 4-[3-[6-azanyl-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C23H30N6O6
MOLECULAR WEIGHT: 486.5209
SMILES: CCNC(=O)[C@@H]1C(C([C@@H](O1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)OC)O)O
Structure:
CAS RN: 68424-12-4
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; decanoic acid
OPENEYE Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; decanoic acid
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; decanoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; decanoic acid
MOLECULAR FORMULA: C18H43N5O2
MOLECULAR WEIGHT: 361.56632
SMILES: CCCCCCCCCC(=O)O.C(CNCCNCCNCCN)N
Structure:
CAS RN: 68423-02-9
CAS Name: aluminum; 2-(2-butoxyethoxy)ethanol; 4-methylbenzenesulfonic acid; 3-oxobutanoic acid ethyl ester; 2-propanolate
OPENEYE Name: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxobutanoate; 4-methylbenzenesulfonic acid; propan-2-olate
IUPAC Name: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxobutanoate; 4-methylbenzenesulfonic acid; propan-2-olate
SYSTEMATIC NAME: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxidanylidenebutanoate; 4-methylbenzenesulfonic acid; propan-2-olate
MOLECULAR FORMULA: C30H57AlO12S
MOLECULAR WEIGHT: 668.812918
SMILES: CCCCOCCOCCO.CCOC(=O)CC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
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