CAS RN: 69603-84-5
CAS Name: 1-oxido-2-[2-[2-(1-oxido-2-pyridin-1-iumyl)ethylthio]ethyl]pyridin-1-ium chloride
OPENEYE Name: 1-oxido-2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylsulfanyl]ethyl]pyridin-1-ium chloride
IUPAC Name: 1-oxido-2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylsulfanyl]ethyl]pyridin-1-ium chloride
SYSTEMATIC NAME: 1-oxidanidyl-2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylsulfanyl]ethyl]pyridin-1-ium chloride
MOLECULAR FORMULA: C14H16ClN2O2S-
MOLECULAR WEIGHT: 311.80704
SMILES: C1=CC=[N+](C(=C1)CCSCCC2=CC=CC=[N+]2[O-])[O-].[Cl-]
Structure:
CAS RN: 17998-10-6
CAS Name: ethanethioic acid S-[3-(acetylthio)-2-(1-phthalazinyl)propyl] ester chloride
OPENEYE Name: S-(3-acetylsulfanyl-2-phthalazin-1-yl-propyl) ethanethioate chloride
IUPAC Name: S-(3-acetylsulfanyl-2-phthalazin-1-ylpropyl) ethanethioate chloride
SYSTEMATIC NAME: S-(3-ethanoylsulfanyl-2-phthalazin-1-yl-propyl) ethanethioate chloride
MOLECULAR FORMULA: C15H16ClN2O2S2-
MOLECULAR WEIGHT: 355.88274
SMILES: CC(=O)SCC(CSC(=O)C)C1=NN=CC2=CC=CC=C21.[Cl-]
Structure:
CAS RN: 17998-11-7
CAS Name: 2-(1-phthalazinyl)propane-1,3-dithiol chloride
OPENEYE Name: 2-phthalazin-1-ylpropane-1,3-dithiol chloride
IUPAC Name: 2-phthalazin-1-ylpropane-1,3-dithiol chloride
SYSTEMATIC NAME: 2-phthalazin-1-ylpropane-1,3-dithiol chloride
MOLECULAR FORMULA: C11H12ClN2S2-
MOLECULAR WEIGHT: 271.80938
SMILES: C1=CC=C2C(=C1)C=NN=C2C(CS)CS.[Cl-]
Structure:
CAS RN: 21276-81-3
CAS Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenylethyl)propane-1,3-diamine hydrochloride
OPENEYE Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenyl-ethyl)propane-1,3-diamine hydrochloride
IUPAC Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenylethyl)propane-1,3-diamine hydrochloride
SYSTEMATIC NAME: N',N'-diethyl-N-[2,2,2-tris(chloranyl)-1-phenyl-ethyl]propane-1,3-diamine hydrochloride
MOLECULAR FORMULA: C15H24Cl4N2
MOLECULAR WEIGHT: 374.17646
SMILES: CCN(CC)CCCNC(C1=CC=CC=C1)C(Cl)(Cl)Cl.Cl
Structure:
CAS RN: 21276-80-2
CAS Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenylethyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenyl-ethyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N',N'-diethyl-N-(2,2,2-trichloro-1-phenylethyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N',N'-diethyl-N-[2,2,2-tris(chloranyl)-1-phenyl-ethyl]ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C14H22Cl4N2
MOLECULAR WEIGHT: 360.14988
SMILES: CCN(CC)CCNC(C1=CC=CC=C1)C(Cl)(Cl)Cl.Cl
Structure:
CAS RN: 19650-75-0
CAS Name: nitric acid; 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
OPENEYE Name: nitric acid; 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
IUPAC Name: nitric acid; 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
SYSTEMATIC NAME: nitric acid; 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
MOLECULAR FORMULA: C10H13N5O3
MOLECULAR WEIGHT: 251.24192
SMILES: C1=CC=C(C=C1)/C=C/C=N/N=C(N)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 94134-37-9
CAS Name: sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulfonic acid
OPENEYE Name: sodium 4-methoxy-3-[[3-(3-nitrophenyl)-3-oxo-propanoyl]amino]benzenesulfonic acid
IUPAC Name: sodium 4-methoxy-3-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]benzenesulfonic acid
SYSTEMATIC NAME: sodium 4-methoxy-3-[[3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid
MOLECULAR FORMULA: C16H14N2NaO8S+
MOLECULAR WEIGHT: 417.34573
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Na+]
Structure:
CAS RN: 19159-80-9
CAS Name: 2-bromo-N-[3-[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]phenyl]acetamide chloride
OPENEYE Name: 2-bromo-N-[3-[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]phenyl]acetamide chloride
IUPAC Name: 2-bromo-N-[3-[2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]phenyl]acetamide chloride
SYSTEMATIC NAME: N-[3-[2-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenoxy]ethoxy]phenyl]-2-bromanyl-ethanamide chloride
MOLECULAR FORMULA: C21H25BrClN6O3-
MOLECULAR WEIGHT: 524.8186
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=CC(=C3)NC(=O)CBr)N)N)C.[Cl-]
Structure:
CAS RN: 19157-76-7
CAS Name: 3-[2-(3-nitrophenoxy)ethoxy]aniline chloride
OPENEYE Name: 3-[2-(3-nitrophenoxy)ethoxy]aniline chloride
IUPAC Name: 3-[2-(3-nitrophenoxy)ethoxy]aniline chloride
SYSTEMATIC NAME: 3-[2-(3-nitrophenoxy)ethoxy]aniline chloride
MOLECULAR FORMULA: C14H14ClN2O4-
MOLECULAR WEIGHT: 309.72496
SMILES: C1=CC(=CC(=C1)OCCOC2=CC=CC(=C2)[N+](=O)[O-])N.[Cl-]
Structure:
CAS RN: 19157-93-8
CAS Name: 6,6-dimethyl-1-[3-[2-(3-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
OPENEYE Name: 6,6-dimethyl-1-[3-[2-(3-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
IUPAC Name: 6,6-dimethyl-1-[3-[2-(3-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
SYSTEMATIC NAME: 6,6-dimethyl-1-[3-[2-(3-nitrophenoxy)ethoxy]phenyl]-1,3,5-triazine-2,4-diamine chloride
MOLECULAR FORMULA: C19H22ClN6O4-
MOLECULAR WEIGHT: 433.86878
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=CC(=C3)[N+](=O)[O-])N)N)C.[Cl-]
Structure:
CAS RN: 16956-29-9
CAS Name: 6-methyl-6-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,5-triazine-2,4-diamine chloride
OPENEYE Name: 6-methyl-6-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,5-triazine-2,4-diamine chloride
IUPAC Name: 6-methyl-6-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,5-triazine-2,4-diamine chloride
SYSTEMATIC NAME: 6-methyl-6-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,5-triazine-2,4-diamine chloride
MOLECULAR FORMULA: C19H22ClN6O3-
MOLECULAR WEIGHT: 417.86938
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)CCCOC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 16287-61-9
CAS Name: 2-bromo-N-[4-[3-(4,6-diamino-2-methyl-1-phenyl-1,3,5-triazin-2-yl)propoxy]phenyl]acetamide chloride
OPENEYE Name: 2-bromo-N-[4-[3-(4,6-diamino-2-methyl-1-phenyl-1,3,5-triazin-2-yl)propoxy]phenyl]acetamide chloride
IUPAC Name: 2-bromo-N-[4-[3-(4,6-diamino-2-methyl-1-phenyl-1,3,5-triazin-2-yl)propoxy]phenyl]acetamide chloride
SYSTEMATIC NAME: N-[4-[3-[4,6-bis(azanyl)-2-methyl-1-phenyl-1,3,5-triazin-2-yl]propoxy]phenyl]-2-bromanyl-ethanamide chloride
MOLECULAR FORMULA: C21H25BrClN6O2-
MOLECULAR WEIGHT: 508.8192
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)CCCOC3=CC=C(C=C3)NC(=O)CBr.[Cl-]
Structure:
CAS RN: 15427-75-5
CAS Name: 1-[4-[1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]-3-[4-[(1Z)-1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]urea chloride
OPENEYE Name: 1-[4-[(Z)-N-guanidino-C-methyl-carbonimidoyl]phenyl]-3-[4-(N-guanidino-C-methyl-carbonimidoyl)phenyl]urea chloride
IUPAC Name: 1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea chloride
SYSTEMATIC NAME: 1-[4-[(Z)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]-3-[4-[N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]urea chloride
MOLECULAR FORMULA: C19H24ClN10O-
MOLECULAR WEIGHT: 443.91326
SMILES: CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)/C(=N\N=C(N)N)/C.[Cl-]
Structure:
CAS RN: 13489-38-8
CAS Name: sodium (2,4-dichlorophenyl)-hydroxymethanesulfonic acid
OPENEYE Name: sodium (2,4-dichlorophenyl)-hydroxy-methanesulfonic acid
IUPAC Name: sodium (2,4-dichlorophenyl)-hydroxymethanesulfonic acid
SYSTEMATIC NAME: sodium (2,4-dichlorophenyl)-oxidanyl-methanesulfonic acid
MOLECULAR FORMULA: C7H6Cl2NaO4S+
MOLECULAR WEIGHT: 280.08091
SMILES: C1=CC(=C(C=C1Cl)Cl)C(O)S(=O)(=O)O.[Na+]
Structure:
CAS RN: 10184-20-0
CAS Name: N-(diphenylmethyl)-7H-purin-6-amine chloride
OPENEYE Name: N-benzhydryl-7H-purin-6-amine chloride
IUPAC Name: N-benzhydryl-7H-purin-6-amine chloride
SYSTEMATIC NAME: N-(diphenylmethyl)-7H-purin-6-amine chloride
MOLECULAR FORMULA: C18H15ClN5-
MOLECULAR WEIGHT: 336.7982
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4.[Cl-]
Structure:
CAS RN: 19270-46-3
CAS Name: N-[3-(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester hydrochloride
OPENEYE Name: ethyl N-[3-(4-chlorophenyl)-8-[[4-(diethylamino)-1-methyl-butyl]amino]pyrido[2,3-b]pyrazin-6-yl]carbamate hydrochloride
IUPAC Name: ethyl N-[3-(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate hydrochloride
SYSTEMATIC NAME: ethyl N-[3-(4-chlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate hydrochloride
MOLECULAR FORMULA: C25H34Cl2N6O2
MOLECULAR WEIGHT: 521.48246
SMILES: CCN(CC)CCCC(C)NC1=CC(=NC2=NC(=CN=C12)C3=CC=C(C=C3)Cl)NC(=O)OCC.Cl
Structure:
CAS RN: 21268-04-2
CAS Name: 4-[[6-(4-chloroanilino)-9-purinyl]methyl]benzenesulfonamide hydrochloride
OPENEYE Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide hydrochloride
IUPAC Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[[6-[(4-chlorophenyl)amino]purin-9-yl]methyl]benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C18H16Cl2N6O2S
MOLECULAR WEIGHT: 451.32964
SMILES: C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)N.Cl
Structure:
CAS RN: 21267-94-7
CAS Name: N-(4-chlorophenyl)-9-[5-(diethylamino)pentan-2-yl]-6-purinamine hydrochloride
OPENEYE Name: N-(4-chlorophenyl)-9-[4-(diethylamino)-1-methyl-butyl]purin-6-amine hydrochloride
IUPAC Name: N-(4-chlorophenyl)-9-[5-(diethylamino)pentan-2-yl]purin-6-amine hydrochloride
SYSTEMATIC NAME: N-(4-chlorophenyl)-9-[5-(diethylamino)pentan-2-yl]purin-6-amine hydrochloride
MOLECULAR FORMULA: C20H28Cl2N6
MOLECULAR WEIGHT: 423.38252
SMILES: CCN(CC)CCCC(C)N1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)Cl.Cl
Structure:
CAS RN: 21266-65-9
CAS Name: 4-(7H-purin-6-ylamino)-2,6-bis(1-pyrrolidinylmethyl)phenol chloride
OPENEYE Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride
IUPAC Name: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride
SYSTEMATIC NAME: 4-(7H-purin-6-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol chloride
MOLECULAR FORMULA: C21H27ClN7O-
MOLECULAR WEIGHT: 428.93838
SMILES: C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=NC=NC5=C4NC=N5.[Cl-]
Structure:
CAS RN: 21267-90-3
CAS Name: 5-[[9-[5-(diethylamino)pentan-2-yl]-6-purinyl]amino]-2,2-dimethyl-1-pentanol chloride
OPENEYE Name: 5-[[9-[4-(diethylamino)-1-methyl-butyl]purin-6-yl]amino]-2,2-dimethyl-pentan-1-ol chloride
IUPAC Name: 5-[[9-[5-(diethylamino)pentan-2-yl]purin-6-yl]amino]-2,2-dimethylpentan-1-ol chloride
SYSTEMATIC NAME: 5-[[9-[5-(diethylamino)pentan-2-yl]purin-6-yl]amino]-2,2-dimethyl-pentan-1-ol chloride
MOLECULAR FORMULA: C21H38ClN6O-
MOLECULAR WEIGHT: 426.01902
SMILES: CCN(CC)CCCC(C)N1C=NC2=C1N=CN=C2NCCCC(C)(C)CO.[Cl-]
Structure:
CAS RN: 21267-99-2
CAS Name: 4-[(6-hydrazinyl-9-purinyl)methyl]benzenesulfonamide chloride
OPENEYE Name: 4-[(6-hydrazinopurin-9-yl)methyl]benzenesulfonamide chloride
IUPAC Name: 4-[(6-hydrazinylpurin-9-yl)methyl]benzenesulfonamide chloride
SYSTEMATIC NAME: 4-[(6-diazanylpurin-9-yl)methyl]benzenesulfonamide chloride
MOLECULAR FORMULA: C12H13ClN7O2S-
MOLECULAR WEIGHT: 354.79532
SMILES: C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3NN)S(=O)(=O)N.[Cl-]
Structure:
CAS RN: 21323-46-6
CAS Name: 2-amino-8-iodo-3,7-dihydropurin-6-one chloride
OPENEYE Name: 2-amino-8-iodo-3,7-dihydropurin-6-one chloride
IUPAC Name: 2-amino-8-iodo-3,7-dihydropurin-6-one chloride
SYSTEMATIC NAME: 2-azanyl-8-iodanyl-3,7-dihydropurin-6-one chloride
MOLECULAR FORMULA: C5H4ClIN5O-
MOLECULAR WEIGHT: 312.47563
SMILES: C12=C(NC(=NC1=O)N)N=C(N2)I.[Cl-]
Structure:
CAS RN: 21323-81-9
CAS Name: 8-iodo-7H-purin-6-amine chloride
OPENEYE Name: 8-iodo-7H-purin-6-amine chloride
IUPAC Name: 8-iodo-7H-purin-6-amine chloride
SYSTEMATIC NAME: 8-iodanyl-7H-purin-6-amine chloride
MOLECULAR FORMULA: C5H4ClIN5-
MOLECULAR WEIGHT: 296.47623
SMILES: C1=NC2=C(C(=N1)N)NC(=N2)I.[Cl-]
Structure:
CAS RN: 72967-11-4
CAS Name: [(Z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphonium bromide
OPENEYE Name: [(Z)-4-methoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide
IUPAC Name: [(Z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide
SYSTEMATIC NAME: [(Z)-4-methoxy-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C23H22BrO2P
MOLECULAR WEIGHT: 441.297341
SMILES: COC(=O)/C=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 22038-50-2
CAS Name: 2-carboxyethenyl(triphenyl)phosphonium bromide
OPENEYE Name: 2-carboxyvinyl(triphenyl)phosphonium bromide
IUPAC Name: 2-carboxyethenyl(triphenyl)phosphanium bromide
SYSTEMATIC NAME: (3-oxidanyl-3-oxidanylidene-prop-1-enyl)-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C21H18BrO2P
MOLECULAR WEIGHT: 413.244181
SMILES: C1=CC=C(C=C1)[P+](C=CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
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