CAS RN: 63445-61-4
CAS Name: 2,3-dimethyl-1-(3-phenylprop-2-ynyl)-4-piperidinone hydrochloride
OPENEYE Name: 2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-4-one hydrochloride
IUPAC Name: 2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-4-one hydrochloride
SYSTEMATIC NAME: 2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-4-one hydrochloride
MOLECULAR FORMULA: C16H20ClNO
MOLECULAR WEIGHT: 277.7891
SMILES: CC1C(N(CCC1=O)CC#CC2=CC=CC=C2)C.Cl
Structure:
CAS RN: 63434-21-9
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxy-2-propanol hydrochloride
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxy-propan-2-ol hydrochloride
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxypropan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxy-propan-2-ol hydrochloride
MOLECULAR FORMULA: C19H26ClNO4
MOLECULAR WEIGHT: 367.86704
SMILES: COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC=C2)O)OC.Cl
Structure:
CAS RN: 63434-00-4
CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine hydrochloride
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C18H24ClNO3
MOLECULAR WEIGHT: 337.84106
SMILES: COC1=CC=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC.Cl
Structure:
CAS RN: 63413-57-0
CAS Name: 2,3-dimethylbenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester
OPENEYE Name: (5-chloro-7-iodo-8-quinolyl) 2,3-dimethylbenzenesulfonate
IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate
SYSTEMATIC NAME: (5-chloranyl-7-iodanyl-quinolin-8-yl) 2,3-dimethylbenzenesulfonate
MOLECULAR FORMULA: C17H13ClINO3S
MOLECULAR WEIGHT: 473.71249
SMILES: CC1=C(C(=CC=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I)C
Structure:
CAS RN: 63413-56-9
CAS Name: 2-acetamidobenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester
OPENEYE Name: (5-chloro-7-iodo-8-quinolyl) 2-acetamidobenzenesulfonate
IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate
SYSTEMATIC NAME: (5-chloranyl-7-iodanyl-quinolin-8-yl) 2-acetamidobenzenesulfonate
MOLECULAR FORMULA: C17H12ClIN2O4S
MOLECULAR WEIGHT: 502.71065
SMILES: CC(=O)NC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I
Structure:
CAS RN: 63413-55-8
CAS Name: 2-chlorobenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester
OPENEYE Name: (5-chloro-7-iodo-8-quinolyl) 2-chlorobenzenesulfonate
IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 2-chlorobenzenesulfonate
SYSTEMATIC NAME: (5-chloranyl-7-iodanyl-quinolin-8-yl) 2-chloranylbenzenesulfonate
MOLECULAR FORMULA: C15H8Cl2INO3S
MOLECULAR WEIGHT: 480.10439
SMILES: C1=CC=C(C(=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I)Cl
Structure:
CAS RN: 63413-54-7
CAS Name: 2-chlorobenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester
OPENEYE Name: (4-chloro-3,5-dimethyl-phenyl) 2-chlorobenzenesulfonate
IUPAC Name: (4-chloro-3,5-dimethylphenyl) 2-chlorobenzenesulfonate
SYSTEMATIC NAME: (4-chloranyl-3,5-dimethyl-phenyl) 2-chloranylbenzenesulfonate
MOLECULAR FORMULA: C14H12Cl2O3S
MOLECULAR WEIGHT: 331.21428
SMILES: CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC=CC=C2Cl
Structure:
CAS RN: 63413-53-6
CAS Name: 2,3-dimethylbenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester
OPENEYE Name: (4-chloro-3,5-dimethyl-phenyl) 2,3-dimethylbenzenesulfonate
IUPAC Name: (4-chloro-3,5-dimethylphenyl) 2,3-dimethylbenzenesulfonate
SYSTEMATIC NAME: (4-chloranyl-3,5-dimethyl-phenyl) 2,3-dimethylbenzenesulfonate
MOLECULAR FORMULA: C16H17ClO3S
MOLECULAR WEIGHT: 324.82238
SMILES: CC1=C(C(=CC=C1)S(=O)(=O)OC2=CC(=C(C(=C2)C)Cl)C)C
Structure:
CAS RN: 63366-68-7
CAS Name: 2-furanyl-dimethyl-[2-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)ethyl]silane
OPENEYE Name: 2-furyl-dimethyl-[2-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)ethyl]silane
IUPAC Name: furan-2-yl-dimethyl-[2-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)ethyl]silane
SYSTEMATIC NAME: furan-2-yl-dimethyl-[2-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)ethyl]silane
MOLECULAR FORMULA: C14H25NO4Si2
MOLECULAR WEIGHT: 327.5236
SMILES: C[Si](C)(CC[Si]12OCCN(CCO1)CCO2)C3=CC=CO3
Structure:
CAS RN: 63361-51-3
CAS Name: phenylmethanesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester
OPENEYE Name: (5-chloro-7-iodo-8-quinolyl) phenylmethanesulfonate
IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) phenylmethanesulfonate
SYSTEMATIC NAME: (5-chloranyl-7-iodanyl-quinolin-8-yl) phenylmethanesulfonate
MOLECULAR FORMULA: C16H11ClINO3S
MOLECULAR WEIGHT: 459.68591
SMILES: C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I
Structure:
CAS RN: 63361-49-9
CAS Name: 4-methylbenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester
OPENEYE Name: (5-chloro-7-iodo-8-quinolyl) 4-methylbenzenesulfonate
IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5-chloranyl-7-iodanyl-quinolin-8-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C16H11ClINO3S
MOLECULAR WEIGHT: 459.68591
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I
Structure:
CAS RN: 63361-46-6
CAS Name: phenylmethanesulfonic acid (4-chloro-3,5-dimethylphenyl) ester
OPENEYE Name: (4-chloro-3,5-dimethyl-phenyl) phenylmethanesulfonate
IUPAC Name: (4-chloro-3,5-dimethylphenyl) phenylmethanesulfonate
SYSTEMATIC NAME: (4-chloranyl-3,5-dimethyl-phenyl) phenylmethanesulfonate
MOLECULAR FORMULA: C15H15ClO3S
MOLECULAR WEIGHT: 310.7958
SMILES: CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)CC2=CC=CC=C2
Structure:
CAS RN: 63341-26-4
CAS Name: 6-[[(1S)-2-[[(2R)-4-amino-1,4-dioxo-2-(propan-2-ylamino)butyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: 6-[[(1S)-2-[[(2R)-4-amino-2-(isopropylamino)-4-oxo-butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: 6-[[(1S)-2-[[(2R)-4-amino-4-oxo-2-(propan-2-ylamino)butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-[[(1S)-2-[[(2R)-4-azanyl-4-oxidanylidene-2-(propan-2-ylamino)butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C23H31N5O7S
MOLECULAR WEIGHT: 521.58654
SMILES: CC(C)N[C@H](CC(=O)N)C(=O)NC(=O)[C@H](C1=CC=C(C=C1)O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O
Structure:
CAS RN: 63331-27-1
CAS Name: 5-fluoro-1-prop-2-ynyl-2-pyrimidinone
OPENEYE Name: 5-fluoro-1-prop-2-ynyl-pyrimidin-2-one
IUPAC Name: 5-fluoro-1-prop-2-ynylpyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-1-prop-2-ynyl-pyrimidin-2-one
MOLECULAR FORMULA: C7H5FN2O
MOLECULAR WEIGHT: 152.125803
SMILES: C#CCN1C=C(C=NC1=O)F
Structure:
CAS RN: 63326-88-5
CAS Name: 7-(2-oxopropyl)-7H-[1]benzopyrano[3,2-c][1]benzopyran-6-one
OPENEYE Name: 7-acetonyl-7H-chromeno[3,2-c]chromen-6-one
IUPAC Name: 7-(2-oxopropyl)-7H-chromeno[3,2-c]chromen-6-one
SYSTEMATIC NAME: 7-(2-oxidanylidenepropyl)-7H-chromeno[3,2-c]chromen-6-one
MOLECULAR FORMULA: C19H14O4
MOLECULAR WEIGHT: 306.31206
SMILES: CC(=O)CC1C2=CC=CC=C2OC3=C1C(=O)OC4=CC=CC=C43
Structure:
CAS RN: 63293-66-3
CAS Name: 2-acetyloxybenzoic acid 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl ester
OPENEYE Name: 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxyethyl 2-acetoxybenzoate
IUPAC Name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-acetyloxybenzoate
SYSTEMATIC NAME: 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxyethyl 2-acetyloxybenzoate
MOLECULAR FORMULA: C21H21ClO7
MOLECULAR WEIGHT: 420.84024
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OCCOC(=O)C(C)(C)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 63293-52-7
CAS Name: 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]benzoic acid 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]ethyl ester
OPENEYE Name: 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxyethyl 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxybenzoate
IUPAC Name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate
SYSTEMATIC NAME: 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxyethyl 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxybenzoate
MOLECULAR FORMULA: C29H28Cl2O8
MOLECULAR WEIGHT: 575.43382
SMILES: CC(C)(C(=O)OCCOC(=O)C1=CC=CC=C1OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 63290-61-9
CAS Name: 3-(4-chlorophenyl)-1-(phenylmethyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-benzyl-3-(4-chlorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-(phenylmethyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: C1C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 63286-84-0
CAS Name: N-[4-[[4-(2,3-dihydroxypropoxy)-9-acridinyl]amino]-3-methoxyphenyl]methanesulfonamide hydrochloride
OPENEYE Name: N-[4-[[4-(2,3-dihydroxypropoxy)acridin-9-yl]amino]-3-methoxy-phenyl]methanesulfonamide hydrochloride
IUPAC Name: N-[4-[[4-(2,3-dihydroxypropoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide hydrochloride
SYSTEMATIC NAME: N-[4-[[4-[2,3-bis(oxidanyl)propoxy]acridin-9-yl]amino]-3-methoxy-phenyl]methanesulfonamide hydrochloride
MOLECULAR FORMULA: C24H26ClN3O6S
MOLECULAR WEIGHT: 519.99774
SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OCC(CO)O.Cl
Structure:
CAS RN: 63273-88-1
CAS Name: 2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
OPENEYE Name: 2-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]guanidine; sulfuric acid
IUPAC Name: 2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C20H28Cl4N6O8S
MOLECULAR WEIGHT: 654.34872
SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(CN=C(N)N)O.C1=CC(=C(C=C1Cl)Cl)OCC(CN=C(N)N)O.OS(=O)(=O)O
Structure:
CAS RN: 63273-86-9
CAS Name: 2-[3-(2-chlorophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
OPENEYE Name: 2-[3-(2-chlorophenoxy)-2-hydroxy-propyl]guanidine; sulfuric acid
IUPAC Name: 2-[3-(2-chlorophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C20H30Cl2N6O8S
MOLECULAR WEIGHT: 585.4586
SMILES: C1=CC=C(C(=C1)OCC(CN=C(N)N)O)Cl.C1=CC=C(C(=C1)OCC(CN=C(N)N)O)Cl.OS(=O)(=O)O
Structure:
CAS RN: 63273-84-7
CAS Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
OPENEYE Name: 2-[3-(4-bromophenoxy)-2-hydroxy-propyl]guanidine; sulfuric acid
IUPAC Name: 2-[3-(4-bromophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C20H30Br2N6O8S
MOLECULAR WEIGHT: 674.3606
SMILES: C1=CC(=CC=C1OCC(CN=C(N)N)O)Br.C1=CC(=CC=C1OCC(CN=C(N)N)O)Br.OS(=O)(=O)O
Structure:
CAS RN: 63273-82-5
CAS Name: 2-[3-(2-bromophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
OPENEYE Name: 2-[3-(2-bromophenoxy)-2-hydroxy-propyl]guanidine; sulfuric acid
IUPAC Name: 2-[3-(2-bromophenoxy)-2-hydroxypropyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C20H30Br2N6O8S
MOLECULAR WEIGHT: 674.3606
SMILES: C1=CC=C(C(=C1)OCC(CN=C(N)N)O)Br.C1=CC=C(C(=C1)OCC(CN=C(N)N)O)Br.OS(=O)(=O)O
Structure:
CAS RN: 63270-67-7
CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoate; manganese(2+)
OPENEYE Name: manganous 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoate; manganese(2+)
SYSTEMATIC NAME: 2-azanyl-3-(1H-imidazol-5-yl)propanoate; manganese(2+)
MOLECULAR FORMULA: C12H16MnN6O4
MOLECULAR WEIGHT: 363.231289
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Mn+2]
Structure:
CAS RN: 63264-28-8
CAS Name: 3-(2-furanyl)-4-[2-(4-morpholinyl)ethyl]-1H-1,2,4-triazole-5-thione hydrochloride
OPENEYE Name: 3-(2-furyl)-4-(2-morpholinoethyl)-1H-1,2,4-triazole-5-thione hydrochloride
IUPAC Name: 3-(furan-2-yl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione hydrochloride
SYSTEMATIC NAME: 3-(furan-2-yl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione hydrochloride
MOLECULAR FORMULA: C12H17ClN4O2S
MOLECULAR WEIGHT: 316.80698
SMILES: C1COCCN1CCN2C(=NNC2=S)C3=CC=CO3.Cl
Structure:
CAS RN: 63262-11-3
CAS Name: carbonic acid hexyl 1-(4-iodophenyl)ethyl ester
OPENEYE Name: hexyl 1-(4-iodophenyl)ethyl carbonate
IUPAC Name: hexyl 1-(4-iodophenyl)ethyl carbonate
SYSTEMATIC NAME: hexyl 1-(4-iodophenyl)ethyl carbonate
MOLECULAR FORMULA: C15H21IO3
MOLECULAR WEIGHT: 376.22991
SMILES: CCCCCCOC(=O)OC(C)C1=CC=C(C=C1)I
Structure:
CAS RN: 63252-45-9
CAS Name: 2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide hydrochloride
OPENEYE Name: 2-amino-N-[2-(4-chlorophenyl)-1,1-dimethyl-ethyl]propanamide hydrochloride
IUPAC Name: 2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-[1-(4-chlorophenyl)-2-methyl-propan-2-yl]propanamide hydrochloride
MOLECULAR FORMULA: C13H20Cl2N2O
MOLECULAR WEIGHT: 291.2167
SMILES: CC(C(=O)NC(C)(C)CC1=CC=C(C=C1)Cl)N.Cl
Structure:
CAS RN: 67510-86-5
CAS Name: 2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide hydrochloride
OPENEYE Name: 2-amino-N-[2-(4-chlorophenyl)-1,1-dimethyl-ethyl]propanamide hydrochloride
IUPAC Name: 2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-[1-(4-chlorophenyl)-2-methyl-propan-2-yl]propanamide hydrochloride
MOLECULAR FORMULA: C13H20Cl2N2O
MOLECULAR WEIGHT: 291.2167
SMILES: CC(C(=O)NC(C)(C)CC1=CC=C(C=C1)Cl)N.Cl
Structure:
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