CAS RN: 477593-22-9
CAS Name: 1-(5-bromo-2-chloro-4-pyrimidinyl)-4-piperidinol
OPENEYE Name: 1-(5-bromo-2-chloro-pyrimidin-4-yl)piperidin-4-ol
IUPAC Name: 1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-ol
SYSTEMATIC NAME: 1-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)piperidin-4-ol
MOLECULAR FORMULA: C9H11BrClN3O
MOLECULAR WEIGHT: 292.56014
SMILES: C1CN(CCC1O)C2=NC(=NC=C2Br)Cl
CAS RN: 885281-30-1
CAS Name: 7-[(2-methylpropan-2-yl)oxy-oxomethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
OPENEYE Name: 7-tert-butoxycarbonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H17N3O4
MOLECULAR WEIGHT: 267.28108
SMILES: CC(C)(C)OC(=O)N1CCN2C=C(N=C2C1)C(=O)O
CAS RN: 918340-51-9
CAS Name: 4-chlorofuro[2,3-d]pyrimidine
OPENEYE Name: 4-chlorofuro[2,3-d]pyrimidine
IUPAC Name: 4-chlorofuro[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranylfuro[2,3-d]pyrimidine
MOLECULAR FORMULA: C6H3ClN2O
MOLECULAR WEIGHT: 154.55382
SMILES: C1=COC2=C1C(=NC=N2)Cl
CAS RN: 901303-38-6
CAS Name: 2-chloro-5-phenyl-4-(1-piperidinyl)pyrimidine
OPENEYE Name: 2-chloro-5-phenyl-4-(1-piperidyl)pyrimidine
IUPAC Name: 2-chloro-5-phenyl-4-piperidin-1-ylpyrimidine
SYSTEMATIC NAME: 2-chloranyl-5-phenyl-4-piperidin-1-yl-pyrimidine
MOLECULAR FORMULA: C15H16ClN3
MOLECULAR WEIGHT: 273.76064
SMILES: C1CCN(CC1)C2=NC(=NC=C2C3=CC=CC=C3)Cl
CAS RN: 57054-90-7
CAS Name: 5-bromo-2-chloro-4-(1-pyrrolidinyl)pyrimidine
OPENEYE Name: 5-bromo-2-chloro-4-pyrrolidin-1-yl-pyrimidine
IUPAC Name: 5-bromo-2-chloro-4-pyrrolidin-1-ylpyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-4-pyrrolidin-1-yl-pyrimidine
MOLECULAR FORMULA: C8H9BrClN3
MOLECULAR WEIGHT: 262.53416
SMILES: C1CCN(C1)C2=NC(=NC=C2Br)Cl
CAS RN: 452331-68-9
CAS Name: 4-propylpiperidine hydrochloride
OPENEYE Name: 4-propylpiperidine hydrochloride
IUPAC Name: 4-propylpiperidine hydrochloride
SYSTEMATIC NAME: 4-propylpiperidine hydrochloride
MOLECULAR FORMULA: C8H18ClN
MOLECULAR WEIGHT: 163.68822
SMILES: CCCC1CCNCC1.Cl
CAS RN: 398487-76-8
CAS Name: 4-fluoro-2-methyl-1H-indol-5-amine
OPENEYE Name: 4-fluoro-2-methyl-1H-indol-5-amine
IUPAC Name: 4-fluoro-2-methyl-1H-indol-5-amine
SYSTEMATIC NAME: 4-fluoranyl-2-methyl-1H-indol-5-amine
MOLECULAR FORMULA: C9H9FN2
MOLECULAR WEIGHT: 164.179563
SMILES: CC1=CC2=C(N1)C=CC(=C2F)N
CAS RN: 867333-04-8
CAS Name: (6-chloro-2-fluoro-3-methoxyphenyl)boronic acid
OPENEYE Name: (6-chloro-2-fluoro-3-methoxy-phenyl)boronic acid
IUPAC Name: (6-chloro-2-fluoro-3-methoxyphenyl)boronic acid
SYSTEMATIC NAME: (6-chloranyl-2-fluoranyl-3-methoxy-phenyl)boronic acid
MOLECULAR FORMULA: C7H7BClFO3
MOLECULAR WEIGHT: 204.391083
SMILES: B(C1=C(C=CC(=C1F)OC)Cl)(O)O
CAS RN: 118853-60-4
CAS Name: 6-amino-2-pyrazinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-aminopyrazine-2-carboxylate
IUPAC Name: methyl 6-aminopyrazine-2-carboxylate
SYSTEMATIC NAME: methyl 6-azanylpyrazine-2-carboxylate
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: COC(=O)C1=CN=CC(=N1)N
CAS RN: 320577-63-7
CAS Name: 6-methoxy-2-methyl-3-pyridinamine hydrochloride
OPENEYE Name: 6-methoxy-2-methyl-pyridin-3-amine hydrochloride
IUPAC Name: 6-methoxy-2-methylpyridin-3-amine hydrochloride
SYSTEMATIC NAME: 6-methoxy-2-methyl-pyridin-3-amine hydrochloride
MOLECULAR FORMULA: C7H11ClN2O
MOLECULAR WEIGHT: 174.62804
SMILES: CC1=C(C=CC(=N1)OC)N.Cl
CAS RN: 1028343-10-3
CAS Name: 2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-thioxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
IUPAC Name: methyl 2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C8H6F3NO2S
MOLECULAR WEIGHT: 237.19895
SMILES: COC(=O)C1=CC=C(NC1=S)C(F)(F)F
CAS RN: 19008-62-9
CAS Name: 2-(3-nitrophenyl)ethanamine hydrochloride
OPENEYE Name: 2-(3-nitrophenyl)ethanamine hydrochloride
IUPAC Name: 2-(3-nitrophenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(3-nitrophenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C8H11ClN2O2
MOLECULAR WEIGHT: 202.63814
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCN.Cl
CAS RN: 201849-16-3
CAS Name: 1-bromo-5-chloro-3-fluoro-2-iodobenzene
OPENEYE Name: 1-bromo-5-chloro-3-fluoro-2-iodo-benzene
IUPAC Name: 1-bromo-5-chloro-3-fluoro-2-iodobenzene
SYSTEMATIC NAME: 1-bromanyl-5-chloranyl-3-fluoranyl-2-iodanyl-benzene
MOLECULAR FORMULA: C6H2BrClFI
MOLECULAR WEIGHT: 335.339953
SMILES: C1=C(C=C(C(=C1Br)I)F)Cl
CAS RN: 181073-82-5
CAS Name: 4-cyano-2,6-difluorobenzoic acid
OPENEYE Name: 4-cyano-2,6-difluoro-benzoic acid
IUPAC Name: 4-cyano-2,6-difluorobenzoic acid
SYSTEMATIC NAME: 4-cyano-2,6-bis(fluoranyl)benzoic acid
MOLECULAR FORMULA: C8H3F2NO2
MOLECULAR WEIGHT: 183.111726
SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)C#N
CAS RN: 796600-15-2
CAS Name: 2-chloro-4-fluoro-3-methylbenzonitrile
OPENEYE Name: 2-chloro-4-fluoro-3-methyl-benzonitrile
IUPAC Name: 2-chloro-4-fluoro-3-methylbenzonitrile
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-3-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H5ClFN
MOLECULAR WEIGHT: 169.583403
SMILES: CC1=C(C=CC(=C1Cl)C#N)F
CAS RN: 159968-52-2
CAS Name: 4-(1,4-diazepan-1-ylmethyl)benzenesulfonamide
OPENEYE Name: 4-(1,4-diazepan-1-ylmethyl)benzenesulfonamide
IUPAC Name: 4-(1,4-diazepan-1-ylmethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-(1,4-diazepan-1-ylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C12H19N3O2S
MOLECULAR WEIGHT: 269.36316
SMILES: C1CNCCN(C1)CC2=CC=C(C=C2)S(=O)(=O)N
CAS RN: 1188331-19-2
CAS Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
OPENEYE Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
IUPAC Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SYSTEMATIC NAME: 5-chloranyl-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
MOLECULAR FORMULA: C9H8ClN5S
MOLECULAR WEIGHT: 257.735967
SMILES: [2H]C1(C(N=C(N1)NC2=C(C=CC3=NSN=C32)Cl)([2H])[2H])[2H]
CAS RN: 408492-27-3
CAS Name: 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H14BCl2NO2
MOLECULAR WEIGHT: 273.95136
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)Cl
CAS RN: 108885-67-2
CAS Name: 3-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]-N'-sulfamoylpropanimidamide hydrochloride
OPENEYE Name: 3-[(2-guanidinothiazol-4-yl)methylsulfanyl]-N'-sulfamoyl-propanamidine hydrochloride
IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide hydrochloride
SYSTEMATIC NAME: 3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoyl-propanimidamide hydrochloride
MOLECULAR FORMULA: C8H16ClN7O2S3
MOLECULAR WEIGHT: 373.90634
SMILES: C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N.Cl
CAS RN: 54322-20-2
CAS Name: sodium 4-chloro-1-hydroxy-1-butanesulfonate
OPENEYE Name: sodium 4-chloro-1-hydroxy-butane-1-sulfonate
IUPAC Name: sodium 4-chloro-1-hydroxybutane-1-sulfonate
SYSTEMATIC NAME: sodium 4-chloranyl-1-oxidanyl-butane-1-sulfonate
MOLECULAR FORMULA: C4H8ClNaO4S
MOLECULAR WEIGHT: 210.61169
SMILES: C(CC(O)S(=O)(=O)[O-])CCl.[Na+]
CAS RN: 155547-95-8
CAS Name: (2R,3S,4S,5S,7S,8R)-4,8-diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
OPENEYE Name: (2R,3S,4S,5S,7S,8R)-4,8-diamino-N-[(1S)-2-amino-2-oxo-1-(ureidomethyl)ethyl]-2,3,5,7,9-pentahydroxy-nonanamide
IUPAC Name: (2R,3S,4S,5S,7S,8R)-4,8-diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
SYSTEMATIC NAME: (2R,3S,4S,5S,7S,8R)-N-[(2S)-3-(aminocarbonylamino)-1-azanyl-1-oxidanylidene-propan-2-yl]-4,8-bis(azanyl)-2,3,5,7,9-pentakis(oxidanyl)nonanamide
MOLECULAR FORMULA: C13H28N6O8
MOLECULAR WEIGHT: 396.39682
SMILES: C([C@@H]([C@@H](CO)N)O)[C@@H]([C@@H]([C@@H]([C@H](C(=O)N[C@@H](CNC(=O)N)C(=O)N)O)O)N)O
CAS RN: 185693-02-1
CAS Name: 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
IUPAC Name: tert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC(C)(C)OC(=O)N1CCC2C1CNC2
CAS RN: 178688-43-2
CAS Name: 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)ethanone
OPENEYE Name: 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)ethanone
IUPAC Name: 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-cyclopropyl-2-(2-fluorophenyl)ethanone
MOLECULAR FORMULA: C11H10ClFO
MOLECULAR WEIGHT: 212.647903
SMILES: C1CC1C(=O)C(C2=CC=CC=C2F)Cl
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