CAS RN: 20671-78-7
CAS Name: N,N-diethyl-2-(1H-indol-3-yl)ethanamine; oxalic acid
OPENEYE Name: N,N-diethyl-2-(1H-indol-3-yl)ethanamine; oxalic acid
IUPAC Name: N,N-diethyl-2-(1H-indol-3-yl)ethanamine; oxalic acid
SYSTEMATIC NAME: N,N-diethyl-2-(1H-indol-3-yl)ethanamine; ethanedioic acid
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CCN(CC)CCC1=CNC2=CC=CC=C21.C(=O)(C(=O)O)O
Structure:
CAS RN: 20563-00-2
CAS Name: copper(1+); octadecanoate
OPENEYE Name: cuprous octadecanoate
IUPAC Name: copper(1+); octadecanoate
SYSTEMATIC NAME: copper(1+); octadecanoate
MOLECULAR FORMULA: C18H35CuO2
MOLECULAR WEIGHT: 347.0153
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+]
Structure:
CAS RN: 20545-93-1
CAS Name: 5-hydroxy-5-methyl-6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-1,3-diazinane-2,4-dione
OPENEYE Name: 5-hydroxy-5-methyl-6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)hexahydropyrimidine-2,4-dione
IUPAC Name: 5-hydroxy-5-methyl-6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-methyl-6-(5-methyl-2-oxidanylidene-1H-pyrimidin-6-yl)-5-oxidanyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C10H12N4O4
MOLECULAR WEIGHT: 252.22668
SMILES: CC1=C(NC(=O)N=C1)C2C(C(=O)NC(=O)N2)(C)O
Structure:
CAS RN: 79866-29-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H17ClN4O
MOLECULAR WEIGHT: 232.71048
SMILES: C1C(O1)CCl.C1N2CN3CN1CN(C2)C3
Structure:
CAS RN: 20368-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H17ClN4O
MOLECULAR WEIGHT: 232.71048
SMILES: C1C(O1)CCl.C1N2CN3CN1CN(C2)C3
Structure:
CAS RN: 20350-26-9
CAS Name: 2,4-dinitrophenolate
OPENEYE Name: 2,4-dinitrophenolate
IUPAC Name: 2,4-dinitrophenolate
SYSTEMATIC NAME: 2,4-dinitrophenolate
MOLECULAR FORMULA: C6H3N2O5-
MOLECULAR WEIGHT: 183.09842
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-]
Structure:
CAS RN: 23422-38-0
CAS Name: (2S)-2-aminobutanedihydrazide
OPENEYE Name: (2S)-2-aminobutanedihydrazide
IUPAC Name: (2S)-2-aminobutanedihydrazide
SYSTEMATIC NAME: (2S)-2-azanylbutanedihydrazide
MOLECULAR FORMULA: C4H11N5O2
MOLECULAR WEIGHT: 161.16244
SMILES: C([C@@H](C(=O)NN)N)C(=O)NN
Structure:
CAS RN: 23348-35-8
CAS Name: 1-[(ethylthio)methyl]aziridine
OPENEYE Name: 1-(ethylsulfanylmethyl)aziridine
IUPAC Name: 1-(ethylsulfanylmethyl)aziridine
SYSTEMATIC NAME: 1-(ethylsulfanylmethyl)aziridine
MOLECULAR FORMULA: C5H11NS
MOLECULAR WEIGHT: 117.21254
SMILES: CCSCN1CC1
Structure:
CAS RN: 23348-17-6
CAS Name: N-(1-aziridinylmethyl)-N-propan-2-yl-2-propanamine
OPENEYE Name: N-(aziridin-1-ylmethyl)-N-isopropyl-propan-2-amine
IUPAC Name: N-(aziridin-1-ylmethyl)-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: N-(aziridin-1-ylmethyl)-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C9H20N2
MOLECULAR WEIGHT: 156.2685
SMILES: CC(C)N(CN1CC1)C(C)C
Structure:
CAS RN: 23348-14-3
CAS Name: 1-[(2,5-dimethyl-1-pyrrolidinyl)methyl]-2,5-dimethylpyrrolidine
OPENEYE Name: 1-[(2,5-dimethylpyrrolidin-1-yl)methyl]-2,5-dimethyl-pyrrolidine
IUPAC Name: 1-[(2,5-dimethylpyrrolidin-1-yl)methyl]-2,5-dimethylpyrrolidine
SYSTEMATIC NAME: 1-[(2,5-dimethylpyrrolidin-1-yl)methyl]-2,5-dimethyl-pyrrolidine
MOLECULAR FORMULA: C13H26N2
MOLECULAR WEIGHT: 210.35894
SMILES: CC1CCC(N1CN2C(CCC2C)C)C
Structure:
CAS RN: 20643-20-3
CAS Name: docosanoate; iron(3+)
OPENEYE Name: ferric docosanoate
IUPAC Name: docosanoate; iron(3+)
SYSTEMATIC NAME: docosanoate; iron(3+)
MOLECULAR FORMULA: C66H129FeO6
MOLECULAR WEIGHT: 1074.57186
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]
Structure:
CAS RN: 20245-33-4
CAS Name: 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-3H-purin-9-ium-6-one
OPENEYE Name: 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-3H-purin-9-ium-6-one
IUPAC Name: 9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one
SYSTEMATIC NAME: 9-[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one
MOLECULAR FORMULA: C11H15N4O5+
MOLECULAR WEIGHT: 283.2606
SMILES: CN1C=[N+](C2=C1C(=O)N=CN2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 20190-00-5
CAS Name: octadecanoic acid [2-(hydroxymethyl)-3-(1-oxooctadecoxy)-2-[[3-(1-oxooctadecoxy)-2,2-bis(1-oxooctadecoxymethyl)propoxy]methyl]propyl] ester
OPENEYE Name: [2-(hydroxymethyl)-3-octadecanoyloxy-2-[[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propoxy]methyl]propyl] octadecanoate
IUPAC Name: [2-(hydroxymethyl)-3-octadecanoyloxy-2-[[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propoxy]methyl]propyl] octadecanoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-3-octadecanoyloxy-2-[[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propoxy]methyl]propyl] octadecanoate
MOLECULAR FORMULA: C100H192O12
MOLECULAR WEIGHT: 1586.58728
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 20154-37-4
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-tritiopyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-tritio-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-tritiopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-tritio-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 246.209489
SMILES: [3H]C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 23134-34-1
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptan-2-yl]-2,14-bis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C33H54O11
MOLECULAR WEIGHT: 626.77526
SMILES: CC(C)CC[C@H]([C@@](C)([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)O)O)O
Structure:
CAS RN: 23125-29-3
CAS Name: nitric acid [(2S,3R)-2,3-dihydroxy-4-nitrooxybutyl] ester
OPENEYE Name: [(2S,3R)-2,3-dihydroxy-4-nitrooxy-butyl] nitrate
IUPAC Name: [(2S,3R)-2,3-dihydroxy-4-nitrooxybutyl] nitrate
SYSTEMATIC NAME: [(2S,3R)-4-nitrooxy-2,3-bis(oxidanyl)butyl] nitrate
MOLECULAR FORMULA: C4H8N2O8
MOLECULAR WEIGHT: 212.11492
SMILES: C([C@H]([C@H](CO[N+](=O)[O-])O)O)O[N+](=O)[O-]
Structure:
CAS RN: 22964-42-7
CAS Name: N-[(2,2-dimethyl-1-aziridinyl)-phenylmethyl]-N-ethylethanamine
OPENEYE Name: N-[(2,2-dimethylaziridin-1-yl)-phenyl-methyl]-N-ethyl-ethanamine
IUPAC Name: N-[(2,2-dimethylaziridin-1-yl)-phenylmethyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[(2,2-dimethylaziridin-1-yl)-phenyl-methyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C15H24N2
MOLECULAR WEIGHT: 232.36446
SMILES: CCN(CC)C(C1=CC=CC=C1)N2CC2(C)C
Structure:
CAS RN: 22960-71-0
CAS Name: 4-[(2,2-dimethyl-1-aziridinyl)methyl]morpholine
OPENEYE Name: 4-[(2,2-dimethylaziridin-1-yl)methyl]morpholine
IUPAC Name: 4-[(2,2-dimethylaziridin-1-yl)methyl]morpholine
SYSTEMATIC NAME: 4-[(2,2-dimethylaziridin-1-yl)methyl]morpholine
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: CC1(CN1CN2CCOCC2)C
Structure:
CAS RN: 22960-69-6
CAS Name: 1-[(2,2-dimethyl-1-aziridinyl)methyl]pyrrolidine
OPENEYE Name: 1-[(2,2-dimethylaziridin-1-yl)methyl]pyrrolidine
IUPAC Name: 1-[(2,2-dimethylaziridin-1-yl)methyl]pyrrolidine
SYSTEMATIC NAME: 1-[(2,2-dimethylaziridin-1-yl)methyl]pyrrolidine
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: CC1(CN1CN2CCCC2)C
Structure:
CAS RN: 22955-73-3
CAS Name: 1-[(2,2-dimethyl-1-aziridinyl)methyl]azetidine
OPENEYE Name: 1-[(2,2-dimethylaziridin-1-yl)methyl]azetidine
IUPAC Name: 1-[(2,2-dimethylaziridin-1-yl)methyl]azetidine
SYSTEMATIC NAME: 1-[(2,2-dimethylaziridin-1-yl)methyl]azetidine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: CC1(CN1CN2CCC2)C
Structure:
CAS RN: 22955-64-2
CAS Name: N-[(2,2-dimethyl-1-aziridinyl)methyl]-N-ethylethanamine
OPENEYE Name: N-[(2,2-dimethylaziridin-1-yl)methyl]-N-ethyl-ethanamine
IUPAC Name: N-[(2,2-dimethylaziridin-1-yl)methyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[(2,2-dimethylaziridin-1-yl)methyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C9H20N2
MOLECULAR WEIGHT: 156.2685
SMILES: CCN(CC)CN1CC1(C)C
Structure:
CAS RN: 19908-69-1
CAS Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
OPENEYE Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
IUPAC Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
SYSTEMATIC NAME: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C[C@H]1C[C@@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2
Structure:
CAS RN: 22855-03-4
CAS Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
OPENEYE Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
IUPAC Name: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
SYSTEMATIC NAME: (3aR,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C[C@H]1C[C@@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2
Structure:
CAS RN: 22811-63-8
CAS Name: 1,4-bis(3-aminopropylamino)-5,8-dihydroxyanthracene-9,10-dione
OPENEYE Name: 1,4-bis(3-aminopropylamino)-5,8-dihydroxy-anthracene-9,10-dione
IUPAC Name: 1,4-bis(3-aminopropylamino)-5,8-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(3-azanylpropylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: C1=CC(=C2C(=C1NCCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCCN
Structure:
CAS RN: 3375-31-3
CAS Name: palladium(2+) diacetate
OPENEYE Name: palladium(2+) diacetate
IUPAC Name: palladium(2+) diacetate
SYSTEMATIC NAME: palladium(2+) diethanoate
MOLECULAR FORMULA: C4H6O4Pd
MOLECULAR WEIGHT: 224.50804
SMILES: CC(=O)[O-].CC(=O)[O-].[Pd+2]
Structure:
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