CAS RN: 1620-72-0
CAS Name: 2-methyl-6-(trifluoromethyl)pyridine
OPENEYE Name: 2-methyl-6-(trifluoromethyl)pyridine
IUPAC Name: 2-methyl-6-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-methyl-6-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: CC1=NC(=CC=C1)C(F)(F)F
Structure:
CAS RN: 131747-41-6
CAS Name: 2-(trifluoromethyl)-4-pyridinecarboxylic acid
OPENEYE Name: 2-(trifluoromethyl)pyridine-4-carboxylic acid
IUPAC Name: 2-(trifluoromethyl)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-(trifluoromethyl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C7H4F3NO2
MOLECULAR WEIGHT: 191.10737
SMILES: C1=CN=C(C=C1C(=O)O)C(F)(F)F
Structure:
CAS RN: 131748-14-6
CAS Name: 4-chloro-2-(trifluoromethyl)pyridine
OPENEYE Name: 4-chloro-2-(trifluoromethyl)pyridine
IUPAC Name: 4-chloro-2-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3ClF3N
MOLECULAR WEIGHT: 181.54293
SMILES: C1=CN=C(C=C1Cl)C(F)(F)F
Structure:
CAS RN: 19412-59-0
CAS Name: (1-methyl-2-benzimidazolyl)methanethiol hydrochloride
OPENEYE Name: (1-methylbenzimidazol-2-yl)methanethiol hydrochloride
IUPAC Name: (1-methylbenzimidazol-2-yl)methanethiol hydrochloride
SYSTEMATIC NAME: (1-methylbenzimidazol-2-yl)methanethiol hydrochloride
MOLECULAR FORMULA: C9H11ClN2S
MOLECULAR WEIGHT: 214.71504
SMILES: CN1C2=CC=CC=C2N=C1CS.Cl
Structure:
CAS RN: 130973-78-3
CAS Name: 2-azetidinecarboxamide
OPENEYE Name: azetidine-2-carboxamide
IUPAC Name: azetidine-2-carboxamide
SYSTEMATIC NAME: azetidine-2-carboxamide
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C1CNC1C(=O)N
Structure:
CAS RN: 126937-43-7
CAS Name: piperazine-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O2-methyl piperazine-1,2-dicarboxylate
IUPAC Name: 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-methyl O1-(phenylmethyl) piperazine-1,2-dicarboxylate
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: COC(=O)C1CNCCN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 129365-24-8
CAS Name: 1-phenylmethoxycarbonyl-2-piperazinecarboxylic acid
OPENEYE Name: 1-benzyloxycarbonylpiperazine-2-carboxylic acid
IUPAC Name: 1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SYSTEMATIC NAME: 1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: C1CN(C(CN1)C(=O)O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 3880-78-2
CAS Name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
OPENEYE Name: 7-methoxytetralin-2-amine hydrochloride
IUPAC Name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
SYSTEMATIC NAME: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
MOLECULAR FORMULA: C11H16ClNO
MOLECULAR WEIGHT: 213.70384
SMILES: COC1=CC2=C(CCC(C2)N)C=C1.Cl
Structure:
CAS RN: 59547-48-7
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide
OPENEYE Name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-1-methylpyridin-1-ium-3-carboxamide iodide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide
MOLECULAR FORMULA: C17H18IN3O
MOLECULAR WEIGHT: 407.24879
SMILES: C[N+]1=CC=CC(=C1)C(=O)NCCC2=CNC3=CC=CC=C32.[I-]
Structure:
CAS RN: 114040-06-1
CAS Name: 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
OPENEYE Name: 3-bromo-5,7-dichloro-pyrazolo[1,5-a]pyrimidine
IUPAC Name: 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-5,7-bis(chloranyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C6H2BrCl2N3
MOLECULAR WEIGHT: 266.91018
SMILES: C1=C(N2C(=C(C=N2)Br)N=C1Cl)Cl
Structure:
CAS RN: 22909-50-8
CAS Name: 2-chloro-9H-fluorene-9-carboxylic acid methyl ester
OPENEYE Name: methyl 2-chloro-9H-fluorene-9-carboxylate
IUPAC Name: methyl 2-chloro-9H-fluorene-9-carboxylate
SYSTEMATIC NAME: methyl 2-chloranyl-9H-fluorene-9-carboxylate
MOLECULAR FORMULA: C15H11ClO2
MOLECULAR WEIGHT: 258.69964
SMILES: COC(=O)C1C2=CC=CC=C2C3=C1C=C(C=C3)Cl
Structure:
CAS RN: 10532-56-6
CAS Name: 9-hydroxy-9-fluorenecarboxylic acid; N-methylmethanamine
OPENEYE Name: 9-hydroxyfluorene-9-carboxylic acid; N-methylmethanamine
IUPAC Name: 9-hydroxyfluorene-9-carboxylic acid; N-methylmethanamine
SYSTEMATIC NAME: N-methylmethanamine; 9-oxidanylfluorene-9-carboxylic acid
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CNC.C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
Structure:
CAS RN: 4916-20-5
CAS Name: 3-anilinopropanehydrazide
OPENEYE Name: 3-anilinopropanehydrazide
IUPAC Name: 3-anilinopropanehydrazide
SYSTEMATIC NAME: 3-phenylazanylpropanehydrazide
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: C1=CC=C(C=C1)NCCC(=O)NN
Structure:
CAS RN: 14190-16-0
CAS Name: tetramethylammonium sulfate
OPENEYE Name: tetramethylammonium sulfate
IUPAC Name: tetramethylazanium sulfate
SYSTEMATIC NAME: tetramethylazanium sulfate
MOLECULAR FORMULA: C8H24N2O4S
MOLECULAR WEIGHT: 244.35216
SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 77084-68-5
CAS Name: acetic acid (6'-acetyloxy-4,5,6,7-tetrachloro-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester
OPENEYE Name: (6'-acetoxy-4,5,6,7-tetrachloro-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate
IUPAC Name: (6'-acetyloxy-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
SYSTEMATIC NAME: [6'-acetyloxy-4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] ethanoate
MOLECULAR FORMULA: C24H12Cl4O7
MOLECULAR WEIGHT: 554.15988
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O3
Structure:
CAS RN: 70024-48-5
CAS Name: 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-methoxy-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
OPENEYE Name: 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-5-[[4-methoxy-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
IUPAC Name: 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-methoxy-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
SYSTEMATIC NAME: 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]-5-[[4-methoxy-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
MOLECULAR FORMULA: C28H34N10O13S3
MOLECULAR WEIGHT: 814.82376
SMILES: COC1=NC(=NC(=N1)NCCS(=O)(=O)O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 114724-47-9
CAS Name: 3-methyl-5-(1-methyl-3-pyrrolidinyl)-1,2,4-oxadiazole
OPENEYE Name: 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
IUPAC Name: 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C8H13N3O
MOLECULAR WEIGHT: 167.20832
SMILES: CC1=NOC(=N1)C2CCN(C2)C
Structure:
CAS RN: 88880-08-4
CAS Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-pentyl-3H-1-benzothiopyran-5-one
OPENEYE Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one
IUPAC Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one
SYSTEMATIC NAME: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one
MOLECULAR FORMULA: C18H27NO2S
MOLECULAR WEIGHT: 321.47748
SMILES: CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCO
Structure:
CAS RN: 61494-55-1
CAS Name: 2-(2-chloro-3-pyridinyl)acetic acid
OPENEYE Name: 2-(2-chloro-3-pyridyl)acetic acid
IUPAC Name: 2-(2-chloropyridin-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2-chloranylpyridin-3-yl)ethanoic acid
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: C1=CC(=C(N=C1)Cl)CC(=O)O
Structure:
CAS RN: 101012-32-2
CAS Name: 2-(2-chloro-3-pyridinyl)acetonitrile
OPENEYE Name: 2-(2-chloro-3-pyridyl)acetonitrile
IUPAC Name: 2-(2-chloropyridin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-chloranylpyridin-3-yl)ethanenitrile
MOLECULAR FORMULA: C7H5ClN2
MOLECULAR WEIGHT: 152.581
SMILES: C1=CC(=C(N=C1)Cl)CC#N
Structure:
CAS RN: 100313-48-2
CAS Name: 3,6-dihydro-2H-pyran-5-carboxylic acid
OPENEYE Name: 3,6-dihydro-2H-pyran-5-carboxylic acid
IUPAC Name: 3,6-dihydro-2H-pyran-5-carboxylic acid
SYSTEMATIC NAME: 3,6-dihydro-2H-pyran-5-carboxylic acid
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: C1COCC(=C1)C(=O)O
Structure:
CAS RN: 21943-12-4
CAS Name: 3-bromo-2-pyrazinamine
OPENEYE Name: 3-bromopyrazin-2-amine
IUPAC Name: 3-bromopyrazin-2-amine
SYSTEMATIC NAME: 3-bromanylpyrazin-2-amine
MOLECULAR FORMULA: C4H4BrN3
MOLECULAR WEIGHT: 173.99866
SMILES: C1=CN=C(C(=N1)N)Br
Structure:
CAS RN: 131347-76-7
CAS Name: (3R)-3-aminopentanoic acid
OPENEYE Name: (3R)-3-aminopentanoic acid
IUPAC Name: (3R)-3-aminopentanoic acid
SYSTEMATIC NAME: (3R)-3-azanylpentanoic acid
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC[C@H](CC(=O)O)N
Structure:
CAS RN: 41110-27-4
CAS Name: pyrazine-2,5-dicarboxamide
OPENEYE Name: pyrazine-2,5-dicarboxamide
IUPAC Name: pyrazine-2,5-dicarboxamide
SYSTEMATIC NAME: pyrazine-2,5-dicarboxamide
MOLECULAR FORMULA: C6H6N4O2
MOLECULAR WEIGHT: 166.13744
SMILES: C1=C(N=CC(=N1)C(=O)N)C(=O)N
Structure:
CAS RN: 80791-87-3
CAS Name: 5-(2,6-diamino-9-purinyl)-2-(hydroxymethyl)-4-methoxy-3-oxolanol
OPENEYE Name: 5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol
IUPAC Name: 5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SYSTEMATIC NAME: 5-[2,6-bis(azanyl)purin-9-yl]-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol
MOLECULAR FORMULA: C11H16N6O4
MOLECULAR WEIGHT: 296.28254
SMILES: COC1C(C(OC1N2C=NC3=C2N=C(N=C3N)N)CO)O
Structure:
CAS RN: 101346-02-5
CAS Name: 5-(chloromethyl)pyrimidine
OPENEYE Name: 5-(chloromethyl)pyrimidine
IUPAC Name: 5-(chloromethyl)pyrimidine
SYSTEMATIC NAME: 5-(chloromethyl)pyrimidine
MOLECULAR FORMULA: C5H5ClN2
MOLECULAR WEIGHT: 128.5596
SMILES: C1=C(C=NC=N1)CCl
Structure:
CAS RN: 117976-90-6
CAS Name: sodium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: sodium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-ide
IUPAC Name: sodium 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: sodium 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C18H20N3NaO3S
MOLECULAR WEIGHT: 381.42447
SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
Structure:
CAS RN: 10129-58-5
CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide
OPENEYE Name: ethyl 1-methylpyridin-1-ium-3-carboxylate iodide
IUPAC Name: ethyl 1-methylpyridin-1-ium-3-carboxylate iodide
SYSTEMATIC NAME: ethyl 1-methylpyridin-1-ium-3-carboxylate iodide
MOLECULAR FORMULA: C9H12INO2
MOLECULAR WEIGHT: 293.10155
SMILES: CCOC(=O)C1=C[N+](=CC=C1)C.[I-]
Structure:
CAS RN: 35096-56-1
CAS Name: 1-octadecyl-3-pyridin-1-iumcarboxamide iodide
OPENEYE Name: 1-octadecylpyridin-1-ium-3-carboxamide iodide
IUPAC Name: 1-octadecylpyridin-1-ium-3-carboxamide iodide
SYSTEMATIC NAME: 1-octadecylpyridin-1-ium-3-carboxamide iodide
MOLECULAR FORMULA: C24H43IN2O
MOLECULAR WEIGHT: 502.51549
SMILES: CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[I-]
Structure:
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