CAS RN: 81343-79-5
CAS Name: [2-(2-aminoethylthio)-1-carboxy-2-methylpropyl]azanide; dichloroplatinum
OPENEYE Name: [2-(2-aminoethylsulfanyl)-1-carboxy-2-methyl-propyl]azanide; dichloroplatinum
IUPAC Name: [2-(2-aminoethylsulfanyl)-1-carboxy-2-methylpropyl]azanide; dichloroplatinum
SYSTEMATIC NAME: [3-(2-azanylethylsulfanyl)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]azanide; bis(chloranyl)platinum
MOLECULAR FORMULA: C7H15Cl2N2O2PtS-
MOLECULAR WEIGHT: 457.2552
SMILES: CC(C)(C(C(=O)O)[NH-])SCCN.Cl[Pt]Cl
Structure:
CAS RN: 81343-78-4
CAS Name: [2-(2-aminoethylthio)-1-carboxyethyl]azanide; dichloropalladium
OPENEYE Name: [2-(2-aminoethylsulfanyl)-1-carboxy-ethyl]azanide; dichloropalladium
IUPAC Name: [2-(2-aminoethylsulfanyl)-1-carboxyethyl]azanide; dichloropalladium
SYSTEMATIC NAME: [3-(2-azanylethylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide; bis(chloranyl)palladium
MOLECULAR FORMULA: C5H11Cl2N2O2PdS-
MOLECULAR WEIGHT: 340.54404
SMILES: C(CSCC(C(=O)O)[NH-])N.Cl[Pd]Cl
Structure:
CAS RN: 81343-77-3
CAS Name: [2-(2-aminoethylthio)-1-carboxyethyl]azanide; dichloroplatinum
OPENEYE Name: [2-(2-aminoethylsulfanyl)-1-carboxy-ethyl]azanide; dichloroplatinum
IUPAC Name: [2-(2-aminoethylsulfanyl)-1-carboxyethyl]azanide; dichloroplatinum
SYSTEMATIC NAME: [3-(2-azanylethylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide; bis(chloranyl)platinum
MOLECULAR FORMULA: C5H11Cl2N2O2PtS-
MOLECULAR WEIGHT: 429.20204
SMILES: C(CSCC(C(=O)O)[NH-])N.Cl[Pt]Cl
Structure:
CAS RN: 29197-94-2
CAS Name: [(4-methyl-2-oxo-1-benzopyran-7-yl)amino]methanesulfonic acid; sodium
OPENEYE Name: [(4-methyl-2-oxo-chromen-7-yl)amino]methanesulfonic acid; sodium
IUPAC Name: [(4-methyl-2-oxochromen-7-yl)amino]methanesulfonic acid; sodium
SYSTEMATIC NAME: [(4-methyl-2-oxidanylidene-chromen-7-yl)amino]methanesulfonic acid; sodium
MOLECULAR FORMULA: C11H11NNaO5S
MOLECULAR WEIGHT: 292.26351
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NCS(=O)(=O)O.[Na]
Structure:
CAS RN: 79736-53-1
CAS Name: (1-carboxy-2-hydroxyethyl)azanide; dichloropalladium
OPENEYE Name: (1-carboxy-2-hydroxy-ethyl)azanide; dichloropalladium
IUPAC Name: (1-carboxy-2-hydroxyethyl)azanide; dichloropalladium
SYSTEMATIC NAME: bis(chloranyl)palladium; [1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]azanide
MOLECULAR FORMULA: C3H6Cl2NO3Pd-
MOLECULAR WEIGHT: 281.41064
SMILES: C(C(C(=O)O)[NH-])O.Cl[Pd]Cl
Structure:
CAS RN: 20914-92-5
CAS Name: 3-ethoxypropanimidic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 3-ethoxypropanimidate hydrochloride
IUPAC Name: ethyl 3-ethoxypropanimidate hydrochloride
SYSTEMATIC NAME: ethyl 3-ethoxypropanimidate hydrochloride
MOLECULAR FORMULA: C7H16ClNO2
MOLECULAR WEIGHT: 181.66044
SMILES: CCOCCC(=N)OCC.Cl
Structure:
CAS RN: 39996-49-1
CAS Name: 1-(1-amino-3-pyridin-1-iumyl)ethanone; 2,4,6-trimethylbenzenesulfonate
OPENEYE Name: 1-(1-aminopyridin-1-ium-3-yl)ethanone; 2,4,6-trimethylbenzenesulfonate
IUPAC Name: 1-(1-aminopyridin-1-ium-3-yl)ethanone; 2,4,6-trimethylbenzenesulfonate
SYSTEMATIC NAME: 1-(1-azanylpyridin-1-ium-3-yl)ethanone; 2,4,6-trimethylbenzenesulfonate
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC(=O)C1=C[N+](=CC=C1)N
Structure:
CAS RN: 2541-54-0
CAS Name: 2-[[2-amino-3-(benzoylthio)-1-oxopropyl]amino]acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-[(2-amino-3-benzoylsulfanyl-propanoyl)amino]acetate hydrochloride
IUPAC Name: methyl 2-[(2-amino-3-benzoylsulfanylpropanoyl)amino]acetate hydrochloride
SYSTEMATIC NAME: methyl 2-[[2-azanyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate hydrochloride
MOLECULAR FORMULA: C13H17ClN2O4S
MOLECULAR WEIGHT: 332.80308
SMILES: COC(=O)CNC(=O)C(CSC(=O)C1=CC=CC=C1)N.Cl
Structure:
CAS RN: 54423-78-8
CAS Name: 2-[3-(5-phenanthridin-5-iumyl)propyl]propanedioic acid diethyl ester bromide
OPENEYE Name: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate bromide
IUPAC Name: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate bromide
SYSTEMATIC NAME: diethyl 2-(3-phenanthridin-5-ium-5-ylpropyl)propanedioate bromide
MOLECULAR FORMULA: C23H26BrNO4
MOLECULAR WEIGHT: 460.36084
SMILES: CCOC(=O)C(CCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)OCC.[Br-]
Structure:
CAS RN: 1695-28-9
CAS Name: 1-[(3,4-dichlorophenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide
OPENEYE Name: 1-[(3,4-dichlorophenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide
IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide
SYSTEMATIC NAME: 1-[(3,4-dichlorophenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide
MOLECULAR FORMULA: C16H16Cl2INO2
MOLECULAR WEIGHT: 452.11421
SMILES: CC1(OCCO1)C2=CC=CC=[N+]2CC3=CC(=C(C=C3)Cl)Cl.[I-]
Structure:
CAS RN: 27705-57-3
CAS Name: 9-propan-2-ylbenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 9-isopropylbenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 9-propan-2-ylbenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 9-propan-2-ylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C16H16ClNO4
MOLECULAR WEIGHT: 321.75554
SMILES: CC(C)C1=CC2=CC3=CC=CC=[N+]3C=C2C=C1.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 14728-15-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H14ClNO4
MOLECULAR WEIGHT: 307.72896
SMILES: C1CC2C3=CC=CC=C3C1C4=CC=CC=[N+]24.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 65717-13-7
CAS Name: 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid; potassium
OPENEYE Name: 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid; potassium
IUPAC Name: 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid; potassium
SYSTEMATIC NAME: 5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; potassium
MOLECULAR FORMULA: C5H3KN3O6
MOLECULAR WEIGHT: 240.19212
SMILES: C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-].[K]
Structure:
CAS RN: 42216-35-3
CAS Name: N-[(E)-[amino(nitramido)methylidene]amino]-4-nitrobenzamide
OPENEYE Name: N-[(E)-[amino(nitramido)methylene]amino]-4-nitro-benzamide
IUPAC Name: N-[(E)-[amino(nitramido)methylidene]amino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[(E)-[azanyl(nitramido)methylidene]amino]-4-nitro-benzamide
MOLECULAR FORMULA: C8H8N6O5
MOLECULAR WEIGHT: 268.18632
SMILES: C1=CC(=CC=C1C(=O)N/N=C(\N)/N[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 14689-25-9
CAS Name: copper; 3-nitropentane-2,4-dione
OPENEYE Name: copper; 3-nitropentane-2,4-dione
IUPAC Name: copper; 3-nitropentane-2,4-dione
SYSTEMATIC NAME: copper; 3-nitropentane-2,4-dione
MOLECULAR FORMULA: C10H14CuN2O8
MOLECULAR WEIGHT: 353.77276
SMILES: CC(=O)C(C(=O)C)[N+](=O)[O-].CC(=O)C(C(=O)C)[N+](=O)[O-].[Cu]
Structure:
CAS RN: 50520-20-2
CAS Name: 2-acetyl-N-(1-naphthalenyl)-3-[2-[[3-[(1-naphthalenylamino)-oxomethyl]-4-oxopentan-2-ylidene]amino]ethylimino]butanamide; copper
OPENEYE Name: 2-acetyl-3-[2-[[1-methyl-2-(1-naphthylcarbamoyl)-3-oxo-butylidene]amino]ethylimino]-N-(1-naphthyl)butanamide; copper
IUPAC Name: 2-acetyl-N-naphthalen-1-yl-3-[2-[[3-(naphthalen-1-ylcarbamoyl)-4-oxopentan-2-ylidene]amino]ethylimino]butanamide; copper
SYSTEMATIC NAME: copper; 2-ethanoyl-N-naphthalen-1-yl-3-[2-[[3-(naphthalen-1-ylcarbamoyl)-4-oxidanylidene-pentan-2-ylidene]amino]ethylimino]butanamide
MOLECULAR FORMULA: C34H34CuN4O4
MOLECULAR WEIGHT: 626.20416
SMILES: CC(=NCCN=C(C)C(C(=O)C)C(=O)NC1=CC=CC2=CC=CC=C21)C(C(=O)C)C(=O)NC3=CC=CC4=CC=CC=C43.[Cu]
Structure:
CAS RN: 34782-72-4
CAS Name: 1-(3,4-dihydroisoquinolin-1-yl)-2-ethyl-3,4-dihydroisoquinolin-2-ium iodide
OPENEYE Name: 1-(3,4-dihydroisoquinolin-1-yl)-2-ethyl-3,4-dihydroisoquinolin-2-ium iodide
IUPAC Name: 1-(3,4-dihydroisoquinolin-1-yl)-2-ethyl-3,4-dihydroisoquinolin-2-ium iodide
SYSTEMATIC NAME: 1-(3,4-dihydroisoquinolin-1-yl)-2-ethyl-3,4-dihydroisoquinolin-2-ium iodide
MOLECULAR FORMULA: C20H21IN2
MOLECULAR WEIGHT: 416.29861
SMILES: CC[N+]1=C(C2=CC=CC=C2CC1)C3=NCCC4=CC=CC=C43.[I-]
Structure:
CAS RN: 25259-95-4
CAS Name: [2-(3-piperidinyl)-1,3-dioxolan-2-yl]methanol hydrochloride
OPENEYE Name: [2-(3-piperidyl)-1,3-dioxolan-2-yl]methanol hydrochloride
IUPAC Name: (2-piperidin-3-yl-1,3-dioxolan-2-yl)methanol hydrochloride
SYSTEMATIC NAME: (2-piperidin-3-yl-1,3-dioxolan-2-yl)methanol hydrochloride
MOLECULAR FORMULA: C9H18ClNO3
MOLECULAR WEIGHT: 223.69712
SMILES: C1CC(CNC1)C2(OCCO2)CO.Cl
Structure:
CAS RN: 64359-92-8
CAS Name: 2-[(9-methoxy-7-methyl-5-oxo-4-furo[3,2-g][1]benzopyranyl)oxy]propanoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-(9-methoxy-7-methyl-5-oxo-furo[3,2-g]chromen-4-yl)oxypropanoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-(9-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-4-yl)oxypropanoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(9-methoxy-7-methyl-5-oxidanylidene-furo[3,2-g]chromen-4-yl)oxypropanoate hydrochloride
MOLECULAR FORMULA: C22H28ClNO7
MOLECULAR WEIGHT: 453.91322
SMILES: CCN(CC)CCOC(=O)C(C)OC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C.Cl
Structure:
CAS RN: 78994-11-3
CAS Name: 2-azido-3,6-diphenyl-4H-1,3,2$l^{5}-oxazaphosphorine 2-oxide
OPENEYE Name: 2-azido-3,6-diphenyl-4H-1,3,2$l^{5}-oxazaphosphinine 2-oxide
IUPAC Name: 2-azido-3,6-diphenyl-4H-1,3,2$l^{5}-oxazaphosphinine 2-oxide
SYSTEMATIC NAME: 2-azido-3,6-diphenyl-4H-1,3,2$l^{5}-oxazaphosphinine 2-oxide
MOLECULAR FORMULA: C15H13N4O2P
MOLECULAR WEIGHT: 312.263081
SMILES: C1C=C(OP(=O)(N1C2=CC=CC=C2)N=[N+]=[N-])C3=CC=CC=C3
Structure:
CAS RN: 74960-38-6
CAS Name: 2-[(9-methoxy-7-methyl-5-oxo-4-furo[3,2-g][1]benzopyranyl)oxy]butanoic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl 2-(9-methoxy-7-methyl-5-oxo-furo[3,2-g]chromen-4-yl)oxybutanoate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl 2-(9-methoxy-7-methyl-5-oxofuro[3,2-g]chromen-4-yl)oxybutanoate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 2-(9-methoxy-7-methyl-5-oxidanylidene-furo[3,2-g]chromen-4-yl)oxybutanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO8
MOLECULAR WEIGHT: 481.92332
SMILES: CCC(C(=O)OCCN1CCOCC1)OC2=C3C(=O)C=C(OC3=C(C4=C2C=CO4)OC)C.Cl
Structure:
CAS RN: 24716-25-4
CAS Name: 3-[2-(3,4-dimethyl-1-pyridin-1-iumyl)ethyl]-1H-indole bromide
OPENEYE Name: 3-[2-(3,4-dimethylpyridin-1-ium-1-yl)ethyl]-1H-indole bromide
IUPAC Name: 3-[2-(3,4-dimethylpyridin-1-ium-1-yl)ethyl]-1H-indole bromide
SYSTEMATIC NAME: 3-[2-(3,4-dimethylpyridin-1-ium-1-yl)ethyl]-1H-indole bromide
MOLECULAR FORMULA: C17H19BrN2
MOLECULAR WEIGHT: 331.25016
SMILES: CC1=C(C=[N+](C=C1)CCC2=CNC3=CC=CC=C32)C.[Br-]
Structure:
CAS RN: 80548-15-8
CAS Name: 2-amino-5-(4-hydroxyanilino)pentanoic acid hydrochloride
OPENEYE Name: 2-amino-5-(4-hydroxyanilino)pentanoic acid hydrochloride
IUPAC Name: 2-amino-5-(4-hydroxyanilino)pentanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyl-5-[(4-hydroxyphenyl)amino]pentanoic acid hydrochloride
MOLECULAR FORMULA: C11H17ClN2O3
MOLECULAR WEIGHT: 260.71728
SMILES: C1=CC(=CC=C1NCCCC(C(=O)O)N)O.Cl
Structure:
CAS RN: 80548-14-7
CAS Name: 2-amino-3-(4-hydroxyanilino)propanoic acid hydrochloride
OPENEYE Name: 2-amino-3-(4-hydroxyanilino)propanoic acid hydrochloride
IUPAC Name: 2-amino-3-(4-hydroxyanilino)propanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyl-3-[(4-hydroxyphenyl)amino]propanoic acid hydrochloride
MOLECULAR FORMULA: C9H13ClN2O3
MOLECULAR WEIGHT: 232.66412
SMILES: C1=CC(=CC=C1NCC(C(=O)O)N)O.Cl
Structure:
CAS RN: 82497-96-9
CAS Name: 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine; trichloroplatinum
OPENEYE Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; trichloroplatinum
IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; trichloroplatinum
SYSTEMATIC NAME: 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; tris(chloranyl)platinum
MOLECULAR FORMULA: C17H19Cl4N2PtS
MOLECULAR WEIGHT: 620.30116
SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl[Pt](Cl)Cl
Structure:
CAS RN: 82489-47-2
CAS Name: N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine; trichloroplatinum
OPENEYE Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; trichloroplatinum
IUPAC Name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine; trichloroplatinum
SYSTEMATIC NAME: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; tris(chloranyl)platinum
MOLECULAR FORMULA: C17H20Cl3N2PtS
MOLECULAR WEIGHT: 585.8561
SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl[Pt](Cl)Cl
Structure:
CAS RN: 81904-20-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H20O9
MOLECULAR WEIGHT: 488.4423
SMILES: C[C@@H]1C[C@@]23CC4=C(C(=C5C(=O)C=C6C7=C8C(=CC(=C(C8=C2C4=C75)C(=O)[C@]3(O1)OC)O)OCO6)O)OC
Structure:
CAS RN: 38436-56-5
CAS Name: [(1S,2S)-2-hydroxycyclohexyl]-trimethylammonium iodide
OPENEYE Name: [(1S,2S)-2-hydroxycyclohexyl]-trimethyl-ammonium iodide
IUPAC Name: [(1S,2S)-2-hydroxycyclohexyl]-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-[(1S,2S)-2-oxidanylcyclohexyl]azanium iodide
MOLECULAR FORMULA: C9H20INO
MOLECULAR WEIGHT: 285.16567
SMILES: C[N+](C)(C)[C@H]1CCCC[C@@H]1O.[I-]
Structure:
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