CAS RN: 41552-50-5
CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid 1-(dimethylamino)propan-2-yl ester hydrochloride
OPENEYE Name: [2-(dimethylamino)-1-methyl-ethyl] 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoate hydrochloride
IUPAC Name: 1-(dimethylamino)propan-2-yl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate hydrochloride
SYSTEMATIC NAME: 1-(dimethylamino)propan-2-yl 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate hydrochloride
MOLECULAR FORMULA: C19H23ClN4O4
MOLECULAR WEIGHT: 406.86332
SMILES: CC(CN(C)C)OC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-].Cl
Structure:
CAS RN: 41552-49-2
CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoate hydrochloride
MOLECULAR FORMULA: C20H25ClN4O4
MOLECULAR WEIGHT: 420.8899
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)C=CC2=NC=C(N2C=C)[N+](=O)[O-].Cl
Structure:
CAS RN: 40771-53-7
CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid; sodium
OPENEYE Name: 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid; sodium
IUPAC Name: 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid; sodium
SYSTEMATIC NAME: 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid; sodium
MOLECULAR FORMULA: C14H11N3NaO4
MOLECULAR WEIGHT: 308.24461
SMILES: C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-].[Na]
Structure:
CAS RN: 53217-75-7
CAS Name: 2-methanidyl-1-propene; palladium(2+); (6Z)-6-[[(phenylmethyl)amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(benzylamino)methylene]cyclohexa-2,4-dien-1-one; 2-methanidylprop-1-ene; palladium(2+)
IUPAC Name: (6Z)-6-[(benzylamino)methylidene]cyclohexa-2,4-dien-1-one; 2-methanidylprop-1-ene; palladium(2+)
SYSTEMATIC NAME: 2-methanidylprop-1-ene; palladium(2+); (6Z)-6-[[(phenylmethyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H19NOPd
MOLECULAR WEIGHT: 371.76956
SMILES: CC(=[CH-])[CH2-].C1=CC=C(C=C1)CN/C=C\2/C=CC=CC2=O.[Pd+2]
Structure:
CAS RN: 73769-66-1
CAS Name: dichloropalladium; 2-methanidyl-3,3-dimethyl-1-butene; palladium(2+)
OPENEYE Name: dichloropalladium; 2-methanidyl-3,3-dimethyl-but-1-ene; palladium(2+)
IUPAC Name: dichloropalladium; 2-methanidyl-3,3-dimethylbut-1-ene; palladium(2+)
SYSTEMATIC NAME: bis(chloranyl)palladium; 2-methanidyl-3,3-dimethyl-but-1-ene; palladium(2+)
MOLECULAR FORMULA: C14H24Cl2Pd2-2
MOLECULAR WEIGHT: 476.08636
SMILES: CC(C)(C)C(=[CH-])[CH2-].CC(C)(C)C(=[CH-])[CH2-].Cl[Pd]Cl.[Pd+2]
Structure:
CAS RN: 12081-18-4
CAS Name: dichloropalladium; 2-methanidyl-1-propene; palladium(2+)
OPENEYE Name: dichloropalladium; 2-methanidylprop-1-ene; palladium(2+)
IUPAC Name: dichloropalladium; 2-methanidylprop-1-ene; palladium(2+)
SYSTEMATIC NAME: bis(chloranyl)palladium; 2-methanidylprop-1-ene; palladium(2+)
MOLECULAR FORMULA: C8H12Cl2Pd2-2
MOLECULAR WEIGHT: 391.92688
SMILES: CC(=[CH-])[CH2-].CC(=[CH-])[CH2-].Cl[Pd]Cl.[Pd+2]
Structure:
CAS RN: 59538-44-2
CAS Name: 2-[bis(2-aminoethyl)amino]ethylazanide; dichloroplatinum
OPENEYE Name: 2-[bis(2-aminoethyl)amino]ethylazanide; dichloroplatinum
IUPAC Name: 2-[bis(2-aminoethyl)amino]ethylazanide; dichloroplatinum
SYSTEMATIC NAME: 2-[bis(2-azanylethyl)amino]ethylazanide; bis(chloranyl)platinum
MOLECULAR FORMULA: C6H17Cl2N4Pt-
MOLECULAR WEIGHT: 411.20998
SMILES: C(CN(CCN)CC[NH-])N.Cl[Pt]Cl
Structure:
CAS RN: 56082-00-9
CAS Name: 2-[2-azanidylethyl(methyl)amino]ethylazanide; iodoplatinum
OPENEYE Name: 2-[2-azanidylethyl(methyl)amino]ethylazanide; iodoplatinum
IUPAC Name: 2-[2-azanidylethyl(methyl)amino]ethylazanide; iodoplatinum
SYSTEMATIC NAME: 2-[2-azanidylethyl(methyl)amino]ethylazanide; iodanylplatinum
MOLECULAR FORMULA: C5H13IN3Pt-2
MOLECULAR WEIGHT: 437.15929
SMILES: CN(CC[NH-])CC[NH-].I[Pt]
Structure:
CAS RN: 69551-38-8
CAS Name: 2-(2-azanidylethylthio)ethylazanide; chloroplatinum
OPENEYE Name: 2-(2-azanidylethylsulfanyl)ethylazanide; chloroplatinum
IUPAC Name: 2-(2-azanidylethylsulfanyl)ethylazanide; chloroplatinum
SYSTEMATIC NAME: 2-(2-azanidylethylsulfanyl)ethylazanide; chloranylplatinum
MOLECULAR FORMULA: C4H10ClN2PtS-2
MOLECULAR WEIGHT: 348.7316
SMILES: C(CSCC[NH-])[NH-].Cl[Pt]
Structure:
CAS RN: 32664-34-9
CAS Name: 3-(2-naphthalenyl)-5-oxatriazol-3-iumamine chloride
OPENEYE Name: 3-(2-naphthyl)oxatriazol-3-ium-5-amine chloride
IUPAC Name: 3-naphthalen-2-yloxatriazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-naphthalen-2-yl-1,2,3,4-oxatriazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C11H9ClN4O
MOLECULAR WEIGHT: 248.66836
SMILES: C1=CC=C2C=C(C=CC2=C1)[N+]3=NOC(=N3)N.[Cl-]
Structure:
CAS RN: 15713-96-9
CAS Name: silver 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: silver 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: silver 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: silver 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H12AgN4O5+
MOLECULAR WEIGHT: 376.09428
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O.[Ag+]
Structure:
CAS RN: 50883-28-8
CAS Name: azanide; 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; platinum(2+)
OPENEYE Name: azanide; 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; platinum(2+)
IUPAC Name: azanide; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; platinum(2+)
SYSTEMATIC NAME: azanide; 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; platinum(2+)
MOLECULAR FORMULA: C20H28N10O10Pt
MOLECULAR WEIGHT: 763.57532
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O.[NH2-].[NH2-].[Pt+2]
Structure:
CAS RN: 40398-84-3
CAS Name: N-[2-(diaminomethylidenehydrazinylidene)propylideneamino]carbamodithioic acid (phenylmethyl) ester hydrochloride
OPENEYE Name: benzyl N-[2-(diaminomethylenehydrazono)propylideneamino]carbamodithioate hydrochloride
IUPAC Name: benzyl N-[2-(diaminomethylidenehydrazinylidene)propylideneamino]carbamodithioate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) N-[2-[bis(azanyl)methylidenehydrazinylidene]propylideneamino]carbamodithioate hydrochloride
MOLECULAR FORMULA: C12H17ClN6S2
MOLECULAR WEIGHT: 344.88658
SMILES: CC(=NN=C(N)N)C=NNC(=S)SCC1=CC=CC=C1.Cl
Structure:
CAS RN: 40398-76-3
CAS Name: [2-[2-[1-[(4-chlorophenyl)hydrazinylidene]propan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylammonium chloride
OPENEYE Name: [2-[2-[2-[(4-chlorophenyl)hydrazono]-1-methyl-ethylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium chloride
IUPAC Name: [2-[2-[1-[(4-chlorophenyl)hydrazinylidene]propan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
SYSTEMATIC NAME: [2-[2-[1-[(4-chlorophenyl)hydrazinylidene]propan-2-ylidene]hydrazinyl]-2-oxidanylidene-ethyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C14H21Cl2N5O
MOLECULAR WEIGHT: 346.25544
SMILES: CC(=NNC(=O)C[N+](C)(C)C)C=NNC1=CC=C(C=C1)Cl.[Cl-]
Structure:
CAS RN: 40398-77-4
CAS Name: N-[1-[(3,4-dichlorophenyl)hydrazinylidene]propan-2-ylideneamino]-2-(1-pyridin-1-iumyl)acetamide chloride
OPENEYE Name: N-[[2-[(3,4-dichlorophenyl)hydrazono]-1-methyl-ethylidene]amino]-2-pyridin-1-ium-1-yl-acetamide chloride
IUPAC Name: N-[1-[(3,4-dichlorophenyl)hydrazinylidene]propan-2-ylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
SYSTEMATIC NAME: N-[1-[(3,4-dichlorophenyl)hydrazinylidene]propan-2-ylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride
MOLECULAR FORMULA: C16H16Cl3N5O
MOLECULAR WEIGHT: 400.69014
SMILES: CC(=NNC(=O)C[N+]1=CC=CC=C1)C=NNC2=CC(=C(C=C2)Cl)Cl.[Cl-]
Structure:
CAS RN: 40398-83-2
CAS Name: N-[2-(diaminomethylidenehydrazinylidene)propylideneamino]carbamodithioic acid methyl ester hydrochloride
OPENEYE Name: methyl N-[2-(diaminomethylenehydrazono)propylideneamino]carbamodithioate hydrochloride
IUPAC Name: methyl N-[2-(diaminomethylidenehydrazinylidene)propylideneamino]carbamodithioate hydrochloride
SYSTEMATIC NAME: methyl N-[2-[bis(azanyl)methylidenehydrazinylidene]propylideneamino]carbamodithioate hydrochloride
MOLECULAR FORMULA: C6H13ClN6S2
MOLECULAR WEIGHT: 268.79062
SMILES: CC(=NN=C(N)N)C=NNC(=S)SC.Cl
Structure:
CAS RN: 1792-91-2
CAS Name: 2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine hydrochloride
OPENEYE Name: 2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine hydrochloride
IUPAC Name: 2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine hydrochloride
SYSTEMATIC NAME: 2,4-dimethyl-7-nitro-3H-1,5-benzodiazepine hydrochloride
MOLECULAR FORMULA: C11H12ClN3O2
MOLECULAR WEIGHT: 253.68488
SMILES: CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C(C1)C.Cl
Structure:
CAS RN: 3512-89-8
CAS Name: 2,4,7-trimethyl-3H-1,5-benzodiazepine hydrochloride
OPENEYE Name: 2,4,7-trimethyl-3H-1,5-benzodiazepine hydrochloride
IUPAC Name: 2,4,7-trimethyl-3H-1,5-benzodiazepine hydrochloride
SYSTEMATIC NAME: 2,4,7-trimethyl-3H-1,5-benzodiazepine hydrochloride
MOLECULAR FORMULA: C12H15ClN2
MOLECULAR WEIGHT: 222.7139
SMILES: CC1=NC2=C(C=C(C=C2)C)N=C(C1)C.Cl
Structure:
CAS RN: 19482-76-9
CAS Name: [2-(diaminomethylidenehydrazinylidene)propylideneamino]urea hydrochloride
OPENEYE Name: [2-(diaminomethylenehydrazono)propylideneamino]urea hydrochloride
IUPAC Name: [2-(diaminomethylidenehydrazinylidene)propylideneamino]urea hydrochloride
SYSTEMATIC NAME: 1-[2-[bis(azanyl)methylidenehydrazinylidene]propylideneamino]urea hydrochloride
MOLECULAR FORMULA: C5H12ClN7O
MOLECULAR WEIGHT: 221.64808
SMILES: CC(=NN=C(N)N)C=NNC(=O)N.Cl
Structure:
CAS RN: 19326-16-0
CAS Name: [5-(6-amino-3-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate; lithium
OPENEYE Name: [5-(6-aminopurin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; lithium
IUPAC Name: [5-(6-aminopurin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; lithium
SYSTEMATIC NAME: [5-(6-azanylpurin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; lithium
MOLECULAR FORMULA: C10H14LiN5O7P
MOLECULAR WEIGHT: 354.162221
SMILES: [Li].C1=NC2=C(N=CN(C2=N1)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Structure:
CAS RN: 66966-56-1
CAS Name: [(E)-2-(1-aziridinyl)prop-1-enyl]-triphenylphosphonium bromide
OPENEYE Name: [(E)-2-(aziridin-1-yl)prop-1-enyl]-triphenyl-phosphonium bromide
IUPAC Name: [(E)-2-(aziridin-1-yl)prop-1-enyl]-triphenylphosphanium bromide
SYSTEMATIC NAME: [(E)-2-(aziridin-1-yl)prop-1-enyl]-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C23H23BrNP
MOLECULAR WEIGHT: 424.313181
SMILES: C/C(=C\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/N4CC4.[Br-]
Structure:
CAS RN: 14054-93-4
CAS Name: terbium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
OPENEYE Name: terbium; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
IUPAC Name: terbium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
SYSTEMATIC NAME: terbium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-dione
MOLECULAR FORMULA: C24H15F9O6S3Tb
MOLECULAR WEIGHT: 825.478269
SMILES: C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.[Tb]
Structure:
CAS RN: 14054-89-8
CAS Name: gadolinium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
OPENEYE Name: gadolinium; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
IUPAC Name: gadolinium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
SYSTEMATIC NAME: gadolinium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-dione
MOLECULAR FORMULA: C24H15F9GdO6S3
MOLECULAR WEIGHT: 823.802929
SMILES: C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.[Gd]
Structure:
CAS RN: 62698-58-2
CAS Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid; sodium
OPENEYE Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-phenyl]methyl-(carboxymethyl)amino]acetic acid; sodium
IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid; sodium
SYSTEMATIC NAME: 2-[[5-[1-[3-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-oxidanyl-phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; sodium
MOLECULAR FORMULA: C30H28N2NaO12
MOLECULAR WEIGHT: 631.53929
SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)O)CC(=O)O)C4=CC(=C(C=C4)O)CN(CC(=O)O)CC(=O)O.[Na]
Structure:
CAS RN: 57092-56-5
CAS Name: acetic acid [(1-methyl-4-pyridin-1-iumyl)methylideneamino] ester iodide
OPENEYE Name: [(1-methylpyridin-1-ium-4-yl)methyleneamino] acetate iodide
IUPAC Name: [(1-methylpyridin-1-ium-4-yl)methylideneamino] acetate iodide
SYSTEMATIC NAME: [(1-methylpyridin-1-ium-4-yl)methylideneamino] ethanoate iodide
MOLECULAR FORMULA: C9H11IN2O2
MOLECULAR WEIGHT: 306.10031
SMILES: CC(=O)ON=CC1=CC=[N+](C=C1)C.[I-]
Structure:
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