CAS RN: 119904-90-4
CAS Name: 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
OPENEYE Name: quinuclidin-3-amine dihydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
MOLECULAR FORMULA: C7H16Cl2N2
MOLECULAR WEIGHT: 199.12134
SMILES: C1CN2CCC1C(C2)N.Cl.Cl
Structure:
CAS RN: 51609-45-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H25N3O7
MOLECULAR WEIGHT: 695.6745
SMILES: COC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3)C(=O)C4=C(C2=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9
Structure:
CAS RN: 6247-46-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H25N3O7
MOLECULAR WEIGHT: 695.6745
SMILES: COC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3)C(=O)C4=C(C2=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9
Structure:
CAS RN: 6227-52-7
CAS Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine; 3-[[(2R)-2,4-dihydrox
OPENEYE Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-g
IUPAC Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 3-[[(2R)-2,4-dihydroxy-3,
SYSTEMATIC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine; 3-[[(2R)
MOLECULAR FORMULA: C30H56N8O17
MOLECULAR WEIGHT: 800.80904
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
Structure:
CAS RN: 6160-32-3
CAS Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine trihydrochloride
OPENEYE Name: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine trihydrochloride
IUPAC Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine trihydrochloride
SYSTEMATIC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine trihydroc
MOLECULAR FORMULA: C21H42Cl3N7O12
MOLECULAR WEIGHT: 690.95688
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.Cl.Cl.Cl
Structure:
CAS RN: 6150-94-3
CAS Name: 2-hydroxybenzoate; mercury(2+); tetrahydrate
OPENEYE Name: mercuric 2-hydroxybenzoate tetrahydrate
IUPAC Name: 2-hydroxybenzoate; mercury(2+); tetrahydrate
SYSTEMATIC NAME: mercury(2+); 2-oxidanylbenzoate; tetrahydrate
MOLECULAR FORMULA: C14H18HgO10
MOLECULAR WEIGHT: 546.87672
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.O.O.O.O.[Hg+2]
Structure:
CAS RN: 6113-04-8
CAS Name: diethyl-methyl-[2-(1-oxo-2,2-diphenylethoxy)ethyl]ammonium bromide
OPENEYE Name: 2-(2,2-diphenylacetyl)oxyethyl-diethyl-methyl-ammonium bromide
IUPAC Name: 2-(2,2-diphenylacetyl)oxyethyl-diethyl-methylazanium bromide
SYSTEMATIC NAME: 2-(2,2-diphenylethanoyloxy)ethyl-diethyl-methyl-azanium bromide
MOLECULAR FORMULA: C21H28BrNO2
MOLECULAR WEIGHT: 406.35652
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]
Structure:
CAS RN: 6112-86-3
CAS Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenylethanol hydrochloride
OPENEYE Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanol hydrochloride
IUPAC Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanol hydrochloride
SYSTEMATIC NAME: 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-2-yl]-1-phenyl-ethanol hydrochloride
MOLECULAR FORMULA: C22H30ClNO2
MOLECULAR WEIGHT: 375.9321
SMILES: CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 6054-69-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H6N4
MOLECULAR WEIGHT: 62.07444
SMILES: NNNN
Structure:
CAS RN: 5993-97-5
CAS Name: 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride
OPENEYE Name: 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride
IUPAC Name: 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride
SYSTEMATIC NAME: 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride
MOLECULAR FORMULA: C8H11ClN2O
MOLECULAR WEIGHT: 186.63874
SMILES: C1C(CN2C=CC=CC2=N1)O.Cl
Structure:
CAS RN: 5982-23-0
CAS Name: 2-[(1-oxo-2-benzopyran-3-yl)methyl]benzoic acid
OPENEYE Name: 2-[(1-oxoisochromen-3-yl)methyl]benzoic acid
IUPAC Name: 2-[(1-oxoisochromen-3-yl)methyl]benzoic acid
SYSTEMATIC NAME: 2-[(1-oxidanylideneisochromen-3-yl)methyl]benzoic acid
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: C1=CC=C2C(=C1)C=C(OC2=O)CC3=CC=CC=C3C(=O)O
Structure:
CAS RN: 7400-89-7
CAS Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
Structure:
CAS RN: 5936-28-7
CAS Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one hydrochloride
OPENEYE Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one hydrochloride
IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
SYSTEMATIC NAME: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
MOLECULAR FORMULA: C21H22ClNO6
MOLECULAR WEIGHT: 419.85548
SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
Structure:
CAS RN: 5746-13-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; plutonium
OPENEYE Name: plutonium citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; plutonium
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylate; plutonium
MOLECULAR FORMULA: C6H5O7Pu-3
MOLECULAR WEIGHT: 433.163898
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Pu]
Structure:
CAS RN: 5606-24-6
CAS Name: N2-butyl-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N2-butyl-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 2-N-butyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2-butyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C7H14N6
MOLECULAR WEIGHT: 182.22626
SMILES: CCCCNC1=NC(=NC(=N1)N)N
Structure:
CAS RN: 5293-84-5
CAS Name: chloromethyl(triphenyl)phosphonium chloride
OPENEYE Name: chloromethyl(triphenyl)phosphonium chloride
IUPAC Name: chloromethyl(triphenyl)phosphanium chloride
SYSTEMATIC NAME: chloromethyl(triphenyl)phosphanium chloride
MOLECULAR FORMULA: C19H17Cl2P
MOLECULAR WEIGHT: 347.218041
SMILES: C1=CC=C(C=C1)[P+](CCl)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 5135-79-5
CAS Name: 2-(4-methylphenyl)acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide
OPENEYE Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(p-tolyl)acetate iodide
IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate iodide
SYSTEMATIC NAME: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)ethanoate iodide
MOLECULAR FORMULA: C18H26INO2
MOLECULAR WEIGHT: 415.30901
SMILES: CC1=CC=C(C=C1)CC(=O)OC2CC3CCC(C2)[N+]3(C)C.[I-]
Structure:
CAS RN: 5122-82-7
CAS Name: 1-(1-adamantyl)-2-bromoethanone
OPENEYE Name: 1-(1-adamantyl)-2-bromo-ethanone
IUPAC Name: 1-(1-adamantyl)-2-bromoethanone
SYSTEMATIC NAME: 1-(1-adamantyl)-2-bromanyl-ethanone
MOLECULAR FORMULA: C12H17BrO
MOLECULAR WEIGHT: 257.16678
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)CBr
Structure:
CAS RN: 5034-06-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C3H9ClOS
MOLECULAR WEIGHT: 128.62096
SMILES: C[S+](=O)(C)C.[Cl-]
Structure:
CAS RN: 4713-59-1
CAS Name: dibromo(diphenyl)stannane
OPENEYE Name: dibromo(diphenyl)stannane
IUPAC Name: dibromo(diphenyl)stannane
SYSTEMATIC NAME: bis(bromanyl)-diphenyl-stannane
MOLECULAR FORMULA: C12H10Br2Sn
MOLECULAR WEIGHT: 432.7258
SMILES: C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Br)Br
Structure:
CAS RN: 4464-23-7
CAS Name: cadmium(2+) diformate
OPENEYE Name: cadmium(2+) diformate
IUPAC Name: cadmium(2+) diformate
SYSTEMATIC NAME: cadmium(2+) dimethanoate
MOLECULAR FORMULA: C2H2CdO4
MOLECULAR WEIGHT: 202.44588
SMILES: C(=O)[O-].C(=O)[O-].[Cd+2]
Structure:
CAS RN: 4425-36-9
CAS Name: disodium [2-(1-sulfonatooxy-2-benzo[e][1]benzothiolyl)-1-benzo[e][1]benzothiolyl] sulfate
OPENEYE Name: disodium [2-(1-sulfonatooxybenzo[e]benzothiophen-2-yl)benzo[e]benzothiophen-1-yl] sulfate
IUPAC Name: disodium [2-(1-sulfonatooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] sulfate
SYSTEMATIC NAME: disodium [2-(1-sulfonatooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] sulfate
MOLECULAR FORMULA: C24H12Na2O8S4
MOLECULAR WEIGHT: 602.58682
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)C4=C(C5=C(S4)C=CC6=CC=CC=C65)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 4338-95-8
CAS Name: carbamimidothioic acid methyl ester hydroiodide
OPENEYE Name: 2-methylisothiourea hydroiodide
IUPAC Name: methyl carbamimidothioate hydroiodide
SYSTEMATIC NAME: methyl carbamimidothioate hydroiodide
MOLECULAR FORMULA: C2H7IN2S
MOLECULAR WEIGHT: 218.05985
SMILES: CSC(=N)N.I
Structure:
CAS RN: 4337-51-3
CAS Name: 6-nitro-1,2-benzothiazol-3-one
OPENEYE Name: 6-nitro-1,2-benzothiazol-3-one
IUPAC Name: 6-nitro-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 6-nitro-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C7H4N2O3S
MOLECULAR WEIGHT: 196.18326
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SNC2=O
Structure:
CAS RN: 476-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6
Structure:
CAS RN: 4312-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20ClNO5
MOLECULAR WEIGHT: 389.8295
SMILES: CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6.Cl
Structure:
CAS RN: 4303-88-2
CAS Name: 4,4-dimethyl-2-phenyl-2-morpholin-4-iumol bromide
OPENEYE Name: 4,4-dimethyl-2-phenyl-morpholin-4-ium-2-ol bromide
IUPAC Name: 4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol bromide
SYSTEMATIC NAME: 4,4-dimethyl-2-phenyl-morpholin-4-ium-2-ol bromide
MOLECULAR FORMULA: C12H18BrNO2
MOLECULAR WEIGHT: 288.18082
SMILES: C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C.[Br-]
Structure:
CAS RN: 4294-36-4
CAS Name: N-(3-chloro-2-oxopropyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(3-chloro-2-oxo-propyl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(3-chloro-2-oxopropyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(3-chloranyl-2-oxidanylidene-propyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C10H12ClNO3S
MOLECULAR WEIGHT: 261.72518
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)CCl
Structure:
CAS RN: 4252-38-4
CAS Name: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid
OPENEYE Name: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxo-propanoic acid
IUPAC Name: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid
SYSTEMATIC NAME: 3-[4-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C13H15ClFNO3
MOLECULAR WEIGHT: 287.714503
SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)N(CCF)CCCl
Structure:
CAS RN: 4228-99-3
CAS Name: 4,5,7-trichloro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,5,7-trichloro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,5,7-trichloro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,5,7-tris(chloranyl)-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C9H4Cl3F3N2
MOLECULAR WEIGHT: 303.49567
SMILES: CC1=C(C2=C(C(=C1Cl)Cl)N=C(N2)C(F)(F)F)Cl
Structure:
CAS RN: 4205-99-6
CAS Name: 4,6,7-trichloro-5-nitro-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,6,7-trichloro-5-nitro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,6,7-trichloro-5-nitro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,6,7-tris(chloranyl)-5-nitro-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8HCl3F3N3O2
MOLECULAR WEIGHT: 334.46665
SMILES: C12=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)N=C(N2)C(F)(F)F
Structure:
CAS RN: 4205-98-5
CAS Name: 4,5,6-trichloro-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,5,6-trichloro-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,5,6-trichloro-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6-tris(chloranyl)-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8HCl3F3N3O2
MOLECULAR WEIGHT: 334.46665
SMILES: C12=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)N=C(N2)C(F)(F)F
Structure:
CAS RN: 4119-81-7
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2-iodobenzamide
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-2-iodo-benzamide
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2-iodobenzamide
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-2-iodanyl-benzamide
MOLECULAR FORMULA: C11H13IN3O2P
MOLECULAR WEIGHT: 377.118051
SMILES: C1CN1P(=O)(NC(=O)C2=CC=CC=C2I)N3CC3
Structure:
CAS RN: 3994-11-4
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; (1S)-1-(2-methylphenyl)ethanamine
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; (1S)-1-(o-tolyl)ethanamine
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; (1S)-1-(2-methylphenyl)ethanamine
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; (1S)-1-(2-methylphenyl)ethanamine
MOLECULAR FORMULA: C13H19NO6
MOLECULAR WEIGHT: 285.29306
SMILES: CC1=CC=CC=C1[C@H](C)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 3776-92-9
CAS Name: cyclohexylsulfamic acid; N-(2-furanylmethyl)-N-methyl-1-phenyl-2-propanamine
OPENEYE Name: cyclohexylsulfamic acid; N-(2-furylmethyl)-N-methyl-1-phenyl-propan-2-amine
IUPAC Name: cyclohexylsulfamic acid; N-(furan-2-ylmethyl)-N-methyl-1-phenylpropan-2-amine
SYSTEMATIC NAME: cyclohexylsulfamic acid; N-(furan-2-ylmethyl)-N-methyl-1-phenyl-propan-2-amine
MOLECULAR FORMULA: C21H32N2O4S
MOLECULAR WEIGHT: 408.55478
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 3763-80-2
CAS Name: 3-(2-chloro-10-phenothiazinyl)-1-propanamine hydrochloride
OPENEYE Name: 3-(2-chlorophenothiazin-10-yl)propan-1-amine hydrochloride
IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(2-chloranylphenothiazin-10-yl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C15H16Cl2N2S
MOLECULAR WEIGHT: 327.27194
SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN.Cl
Structure:
CAS RN: 3736-05-8
CAS Name: 1,3-dimethyl-7-[2-(methylthio)ethyl]purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione
IUPAC Name: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione
MOLECULAR FORMULA: C10H14N4O2S
MOLECULAR WEIGHT: 254.30876
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC
Structure:
CAS RN: 3626-18-4
CAS Name: 1-[bis(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene
OPENEYE Name: 1-[bis(2,4-dinitrophenyl)methyl]-2,4-dinitro-benzene
IUPAC Name: 1-[bis(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-[bis(2,4-dinitrophenyl)methyl]-2,4-dinitro-benzene
MOLECULAR FORMULA: C19H10N6O12
MOLECULAR WEIGHT: 514.3157
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3590-83-8
CAS Name: tetrahexylstannane
OPENEYE Name: tetrahexylstannane
IUPAC Name: tetrahexylstannane
SYSTEMATIC NAME: tetrahexylstannane
MOLECULAR FORMULA: C24H52Sn
MOLECULAR WEIGHT: 459.37968
SMILES: CCCCCC[Sn](CCCCCC)(CCCCCC)CCCCCC
Structure:
CAS RN: 3570-54-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H16
MOLECULAR WEIGHT: 280.36244
SMILES: C1CC2=C3C=CC4=CC=CC=C4C3=C5CCC6=C5C2=C1C=C6
Structure:
CAS RN: 3518-05-6
CAS Name: 8,12-dimethylbenzo[a]acridine
OPENEYE Name: 8,12-dimethylbenzo[a]acridine
IUPAC Name: 8,12-dimethylbenzo[a]acridine
SYSTEMATIC NAME: 8,12-dimethylbenzo[a]acridine
MOLECULAR FORMULA: C19H15N
MOLECULAR WEIGHT: 257.3291
SMILES: CC1=CC=CC2=C(C3=C(C=CC4=CC=CC=C43)N=C12)C
Structure:
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