CAS RN: 223575-69-7
CAS Name: 2-(2-thiazolyl)benzaldehyde
OPENEYE Name: 2-thiazol-2-ylbenzaldehyde
IUPAC Name: 2-(1,3-thiazol-2-yl)benzaldehyde
SYSTEMATIC NAME: 2-(1,3-thiazol-2-yl)benzaldehyde
MOLECULAR FORMULA: C10H7NOS
MOLECULAR WEIGHT: 189.23368
SMILES: C1=CC=C(C(=C1)C=O)C2=NC=CS2
Structure:
CAS RN: 349552-70-1
CAS Name: 1-chloro-3-isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl 1-chloroisoquinoline-3-carboxylate
IUPAC Name: methyl 1-chloroisoquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 1-chloranylisoquinoline-3-carboxylate
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: COC(=O)C1=CC2=CC=CC=C2C(=N1)Cl
Structure:
CAS RN: 28165-50-6
CAS Name: 2-amino-6-bromophenol
OPENEYE Name: 2-amino-6-bromo-phenol
IUPAC Name: 2-amino-6-bromophenol
SYSTEMATIC NAME: 2-azanyl-6-bromanyl-phenol
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: C1=CC(=C(C(=C1)Br)O)N
Structure:
CAS RN: 13775-54-7
CAS Name: nickel(2+) silicate
OPENEYE Name: dinickelous silicate
IUPAC Name: nickel(2+) silicate
SYSTEMATIC NAME: nickel(2+) silicate
MOLECULAR FORMULA: Ni2O4Si
MOLECULAR WEIGHT: 209.4699
SMILES: [O-][Si]([O-])([O-])[O-].[Ni+2].[Ni+2]
Structure:
CAS RN: 209003-46-3
CAS Name: 4-bromo-2-quinolinecarboxylic acid
OPENEYE Name: 4-bromoquinoline-2-carboxylic acid
IUPAC Name: 4-bromoquinoline-2-carboxylic acid
SYSTEMATIC NAME: 4-bromanylquinoline-2-carboxylic acid
MOLECULAR FORMULA: C10H6BrNO2
MOLECULAR WEIGHT: 252.06414
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)Br
Structure:
CAS RN: 265121-04-8
CAS Name: [5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: [5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: [5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: [5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxidanylidene-1H-1,2,4-triazol-2-yl]phosphonic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C37H56F7N6O16P
MOLECULAR WEIGHT: 1004.833723
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 404354-76-3
CAS Name: (2S)-2-(4-butylphenyl)propanoic acid
OPENEYE Name: (2S)-2-(4-butylphenyl)propanoic acid
IUPAC Name: (2S)-2-(4-butylphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-(4-butylphenyl)propanoic acid
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CCCCC1=CC=C(C=C1)[C@H](C)C(=O)O
Structure:
CAS RN: 143322-57-0
CAS Name: 5-bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indole
OPENEYE Name: 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
IUPAC Name: 5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SYSTEMATIC NAME: 5-bromanyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
MOLECULAR FORMULA: C14H17BrN2
MOLECULAR WEIGHT: 293.20218
SMILES: CN1CCCC1CC2=CNC3=C2C=C(C=C3)Br
Structure:
CAS RN: 6941-37-3
CAS Name: hexadecyl(trimethyl)ammonium perchlorate
OPENEYE Name: hexadecyl(trimethyl)ammonium perchlorate
IUPAC Name: hexadecyl(trimethyl)azanium perchlorate
SYSTEMATIC NAME: hexadecyl(trimethyl)azanium perchlorate
MOLECULAR FORMULA: C19H42ClNO4
MOLECULAR WEIGHT: 383.99408
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 7784-05-6
CAS Name: disilver selenite
OPENEYE Name: disilver selenite
IUPAC Name: disilver selenite
SYSTEMATIC NAME: disilver selenite
MOLECULAR FORMULA: Ag2O3Se
MOLECULAR WEIGHT: 342.6946
SMILES: [O-][Se](=O)[O-].[Ag+].[Ag+]
Structure:
CAS RN: 350847-80-2
CAS Name: 6,7-dihydrocyclopenta[c]pyridin-5-one
OPENEYE Name: 6,7-dihydrocyclopenta[c]pyridin-5-one
IUPAC Name: 6,7-dihydrocyclopenta[c]pyridin-5-one
SYSTEMATIC NAME: 6,7-dihydrocyclopenta[c]pyridin-5-one
MOLECULAR FORMULA: C8H7NO
MOLECULAR WEIGHT: 133.14728
SMILES: C1CC(=O)C2=C1C=NC=C2
Structure:
CAS RN: 186046-80-0
CAS Name: 2-[6-[[(diphenylmethyl)oxy-oxomethyl]amino]-9-purinyl]acetic acid
OPENEYE Name: 2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetic acid
IUPAC Name: 2-[6-(benzhydryloxycarbonylamino)purin-9-yl]acetic acid
SYSTEMATIC NAME: 2-[6-[(diphenylmethyl)oxycarbonylamino]purin-9-yl]ethanoic acid
MOLECULAR FORMULA: C21H17N5O4
MOLECULAR WEIGHT: 403.39078
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC=NC4=C3N=CN4CC(=O)O
Structure:
CAS RN: 169287-79-0
CAS Name: 2-[2-[[(diphenylmethyl)oxy-oxomethyl]amino]-6-oxo-3H-purin-9-yl]acetic acid
OPENEYE Name: 2-[2-(benzhydryloxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid
IUPAC Name: 2-[2-(benzhydryloxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[(diphenylmethyl)oxycarbonylamino]-6-oxidanylidene-3H-purin-9-yl]ethanoic acid
MOLECULAR FORMULA: C21H17N5O5
MOLECULAR WEIGHT: 419.39018
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)C4=C(N3)N(C=N4)CC(=O)O
Structure:
CAS RN: 186046-78-6
CAS Name: 2-[4-[[(diphenylmethyl)oxy-oxomethyl]amino]-2-oxo-1-pyrimidinyl]acetic acid
OPENEYE Name: 2-[4-(benzhydryloxycarbonylamino)-2-oxo-pyrimidin-1-yl]acetic acid
IUPAC Name: 2-[4-(benzhydryloxycarbonylamino)-2-oxopyrimidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4-[(diphenylmethyl)oxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H17N3O5
MOLECULAR WEIGHT: 379.36608
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)O
Structure:
CAS RN: 158407-04-6
CAS Name: 4-(bromomethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H20BrNO2
MOLECULAR WEIGHT: 278.186
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CBr
Structure:
CAS RN: 291289-20-8
CAS Name: 4-[2-(4-fluorophenoxy)ethyl]piperidine
OPENEYE Name: 4-[2-(4-fluorophenoxy)ethyl]piperidine
IUPAC Name: 4-[2-(4-fluorophenoxy)ethyl]piperidine
SYSTEMATIC NAME: 4-[2-(4-fluoranylphenoxy)ethyl]piperidine
MOLECULAR FORMULA: C13H18FNO
MOLECULAR WEIGHT: 223.286523
SMILES: C1CNCCC1CCOC2=CC=C(C=C2)F
Structure:
CAS RN: 207122-16-5
CAS Name: 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
OPENEYE Name: 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
IUPAC Name: 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(bromanyl)-4-[2,4,5-tris(bromanyl)phenoxy]benzene
MOLECULAR FORMULA: C12H3Br7O
MOLECULAR WEIGHT: 722.47962
SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
Structure:
CAS RN: 207122-15-4
CAS Name: 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
OPENEYE Name: 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
IUPAC Name: 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
SYSTEMATIC NAME: 1,2,4-tris(bromanyl)-5-[2,4,6-tris(bromanyl)phenoxy]benzene
MOLECULAR FORMULA: C12H4Br6O
MOLECULAR WEIGHT: 643.58356
SMILES: C1=C(C=C(C(=C1Br)OC2=CC(=C(C=C2Br)Br)Br)Br)Br
Structure:
CAS RN: 243982-82-3
CAS Name: 1,4-dibromo-2-(2,4-dibromophenoxy)benzene
OPENEYE Name: 1,4-dibromo-2-(2,4-dibromophenoxy)benzene
IUPAC Name: 1,4-dibromo-2-(2,4-dibromophenoxy)benzene
SYSTEMATIC NAME: 1-[2,5-bis(bromanyl)phenoxy]-2,4-bis(bromanyl)benzene
MOLECULAR FORMULA: C12H6Br4O
MOLECULAR WEIGHT: 485.79144
SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=CC(=C2)Br)Br
Structure:
CAS RN: 183208-34-6
CAS Name: 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
OPENEYE Name: 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
IUPAC Name: 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SYSTEMATIC NAME: 5-bromanyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
MOLECULAR FORMULA: C7H5BrN2O
MOLECULAR WEIGHT: 213.0314
SMILES: C1C2=CC(=CN=C2NC1=O)Br
Structure:
CAS RN: 152276-00-1
CAS Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)-9-fluorenyl]phenol
OPENEYE Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxy-phenyl)fluoren-9-yl]phenol
IUPAC Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
SYSTEMATIC NAME: 4-[9-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]fluoren-9-yl]-2,6-bis(bromanyl)phenol
MOLECULAR FORMULA: C25H14Br4O2
MOLECULAR WEIGHT: 665.99346
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br
Structure:
CAS RN: 94854-03-2
CAS Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)-9-fluorenyl]phenol
OPENEYE Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxy-phenyl)fluoren-9-yl]phenol
IUPAC Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
SYSTEMATIC NAME: 4-[9-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]fluoren-9-yl]-2,6-bis(bromanyl)phenol
MOLECULAR FORMULA: C25H14Br4O2
MOLECULAR WEIGHT: 665.99346
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br
Structure:
CAS RN: 159873-06-0
CAS Name: 4-(2-oxiranylmethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C12H22N2O3
MOLECULAR WEIGHT: 242.31468
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2CO2
Structure:
CAS RN: 93742-85-9
CAS Name: 5-fluoro-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 5-fluorotetralin-1-one
IUPAC Name: 5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 5-fluoranyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C10H9FO
MOLECULAR WEIGHT: 164.176263
SMILES: C1CC2=C(C=CC=C2F)C(=O)C1
Structure:
CAS RN: 34680-81-4
CAS Name: 2-bromo-N-methylacetamide
OPENEYE Name: 2-bromo-N-methyl-acetamide
IUPAC Name: 2-bromo-N-methylacetamide
SYSTEMATIC NAME: 2-bromanyl-N-methyl-ethanamide
MOLECULAR FORMULA: C3H6BrNO
MOLECULAR WEIGHT: 151.98984
SMILES: CNC(=O)CBr
Structure:
CAS RN: 290307-40-3
CAS Name: 2-(5-bromo-2-pyridinyl)-2-propanol
OPENEYE Name: 2-(5-bromo-2-pyridyl)propan-2-ol
IUPAC Name: 2-(5-bromopyridin-2-yl)propan-2-ol
SYSTEMATIC NAME: 2-(5-bromanylpyridin-2-yl)propan-2-ol
MOLECULAR FORMULA: C8H10BrNO
MOLECULAR WEIGHT: 216.0751
SMILES: CC(C)(C1=NC=C(C=C1)Br)O
Structure:
CAS RN: 145214-05-7
CAS Name: tributyl(2-oxazolyl)stannane
OPENEYE Name: tributyl(oxazol-2-yl)stannane
IUPAC Name: tributyl(1,3-oxazol-2-yl)stannane
SYSTEMATIC NAME: tributyl(1,3-oxazol-2-yl)stannane
MOLECULAR FORMULA: C15H29NOSn
MOLECULAR WEIGHT: 358.10686
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC=CO1
Structure:
CAS RN: 142266-63-5
CAS Name: 2-chloro-4-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 2-chloro-4-methyl-pyridine-3-carboxylic acid
IUPAC Name: 2-chloro-4-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-4-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: CC1=C(C(=NC=C1)Cl)C(=O)O
Structure:
CAS RN: 2016-99-1
CAS Name: 2,6-dibromo-4-pyridinecarboxylic acid
OPENEYE Name: 2,6-dibromopyridine-4-carboxylic acid
IUPAC Name: 2,6-dibromopyridine-4-carboxylic acid
SYSTEMATIC NAME: 2,6-bis(bromanyl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H3Br2NO2
MOLECULAR WEIGHT: 280.90152
SMILES: C1=C(C=C(N=C1Br)Br)C(=O)O
Structure:
CAS RN: 56105-99-8
CAS Name: (4-cyanophenyl)methanesulfonyl chloride
OPENEYE Name: (4-cyanophenyl)methanesulfonyl chloride
IUPAC Name: (4-cyanophenyl)methanesulfonyl chloride
SYSTEMATIC NAME: (4-cyanophenyl)methanesulfonyl chloride
MOLECULAR FORMULA: C8H6ClNO2S
MOLECULAR WEIGHT: 215.65674
SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)C#N
Structure:
CAS RN: 224047-41-0
CAS Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)-2-butanol
OPENEYE Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
MOLECULAR FORMULA: C18H18ClN3O
MOLECULAR WEIGHT: 327.80802
SMILES: CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)O
Structure:
CAS RN: 656-66-6
CAS Name: 3-fluoro-4-iodoaniline
OPENEYE Name: 3-fluoro-4-iodo-aniline
IUPAC Name: 3-fluoro-4-iodoaniline
SYSTEMATIC NAME: 3-fluoranyl-4-iodanyl-aniline
MOLECULAR FORMULA: C6H5FIN
MOLECULAR WEIGHT: 237.013473
SMILES: C1=CC(=C(C=C1N)F)I
Structure:
CAS RN: 68121-32-4
CAS Name: 2-(4-pyrimidinyl)ethanol
OPENEYE Name: 2-pyrimidin-4-ylethanol
IUPAC Name: 2-pyrimidin-4-ylethanol
SYSTEMATIC NAME: 2-pyrimidin-4-ylethanol
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C1=CN=CN=C1CCO
Structure:
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