CAS RN: 90719-32-7
CAS Name: (4S)-4-(phenylmethyl)-2-oxazolidinone
OPENEYE Name: (4S)-4-benzyloxazolidin-2-one
IUPAC Name: (4S)-4-benzyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1[C@@H](NC(=O)O1)CC2=CC=CC=C2
Structure:
CAS RN: 52727-57-8
CAS Name: 2-amino-5-bromobenzoic acid methyl ester
OPENEYE Name: methyl 2-amino-5-bromo-benzoate
IUPAC Name: methyl 2-amino-5-bromobenzoate
SYSTEMATIC NAME: methyl 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: COC(=O)C1=C(C=CC(=C1)Br)N
Structure:
CAS RN: 138825-96-4
CAS Name: 2-acetamido-5-bromobenzoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-5-bromo-benzoate
IUPAC Name: methyl 2-acetamido-5-bromobenzoate
SYSTEMATIC NAME: methyl 2-acetamido-5-bromanyl-benzoate
MOLECULAR FORMULA: C10H10BrNO3
MOLECULAR WEIGHT: 272.0953
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC
Structure:
CAS RN: 22272-24-8
CAS Name: 1-[(2-nitrophenyl)methyl]-2-pyrrolecarboxaldehyde
OPENEYE Name: 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde
IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: C1=CC=C(C(=C1)CN2C=CC=C2C=O)[N+](=O)[O-]
Structure:
CAS RN: 7366-56-5
CAS Name: 4-(carbamothioylamino)benzoic acid
OPENEYE Name: 4-(carbamothioylamino)benzoic acid
IUPAC Name: 4-(carbamothioylamino)benzoic acid
SYSTEMATIC NAME: 4-(carbamothioylamino)benzoic acid
MOLECULAR FORMULA: C8H8N2O2S
MOLECULAR WEIGHT: 196.22632
SMILES: C1=CC(=CC=C1C(=O)O)NC(=S)N
Structure:
CAS RN: 99268-58-3
CAS Name: (3,5-dimethylphenyl)thiourea
OPENEYE Name: (3,5-dimethylphenyl)thiourea
IUPAC Name: (3,5-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1-(3,5-dimethylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=CC(=CC(=C1)NC(=S)N)C
Structure:
CAS RN: 899-87-6
CAS Name: (2-methoxy-5-methylphenyl)thiourea
OPENEYE Name: (2-methoxy-5-methyl-phenyl)thiourea
IUPAC Name: (2-methoxy-5-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(2-methoxy-5-methyl-phenyl)thiourea
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: CC1=CC(=C(C=C1)OC)NC(=S)N
Structure:
CAS RN: 77644-45-2
CAS Name: 1-amino-3-[2-(4-morpholinyl)ethyl]thiourea
OPENEYE Name: 1-amino-3-(2-morpholinoethyl)thiourea
IUPAC Name: 1-amino-3-(2-morpholin-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2-morpholin-4-ylethyl)thiourea
MOLECULAR FORMULA: C7H16N4OS
MOLECULAR WEIGHT: 204.29314
SMILES: C1COCCN1CCNC(=S)NN
Structure:
CAS RN: 206559-61-7
CAS Name: 7-ethoxy-2-benzofurancarboxylic acid
OPENEYE Name: 7-ethoxybenzofuran-2-carboxylic acid
IUPAC Name: 7-ethoxy-1-benzofuran-2-carboxylic acid
SYSTEMATIC NAME: 7-ethoxy-1-benzofuran-2-carboxylic acid
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: CCOC1=CC=CC2=C1OC(=C2)C(=O)O
Structure:
CAS RN: 98488-10-9
CAS Name: 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: CC1=CC2=NC(=CC(=O)N2N1)C
Structure:
CAS RN: 332-51-4
CAS Name: 2-[(4-fluorophenyl)thio]acetic acid
OPENEYE Name: 2-(4-fluorophenyl)sulfanylacetic acid
IUPAC Name: 2-(4-fluorophenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C8H7FO2S
MOLECULAR WEIGHT: 186.203383
SMILES: C1=CC(=CC=C1F)SCC(=O)O
Structure:
CAS RN: 13072-89-4
CAS Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone
OPENEYE Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
IUPAC Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
SYSTEMATIC NAME: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C[C@@]1(CN(NC1=O)C2=CC=CC=C2)CO
Structure:
CAS RN: 13047-13-7
CAS Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone
OPENEYE Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
IUPAC Name: (4R)-4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
SYSTEMATIC NAME: (4R)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C[C@@]1(CN(NC1=O)C2=CC=CC=C2)CO
Structure:
CAS RN: 13047-13-7
CAS Name: (4S)-4-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone
OPENEYE Name: (4S)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
IUPAC Name: (4S)-4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
SYSTEMATIC NAME: (4S)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C[C@]1(CN(NC1=O)C2=CC=CC=C2)CO
Structure:
CAS RN: 175203-89-1
CAS Name: 3-thiophen-2-yl-5-(trifluoromethyl)isoxazole
OPENEYE Name: 3-(2-thienyl)-5-(trifluoromethyl)isoxazole
IUPAC Name: 3-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazole
MOLECULAR FORMULA: C8H4F3NOS
MOLECULAR WEIGHT: 219.18367
SMILES: C1=CSC(=C1)C2=NOC(=C2)C(F)(F)F
Structure:
CAS RN: 38201-61-5
CAS Name: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H12N2OS2
MOLECULAR WEIGHT: 252.35578
SMILES: CN1C(=O)C2=C(NC1=S)SC3=C2CCCC3
Structure:
CAS RN: 14173-39-8
CAS Name: (2S)-2-amino-3-(4-chlorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(4-chlorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(4-chlorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-chlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)Cl
Structure:
CAS RN: 42580-42-7
CAS Name: 2,5-bis(trifluoromethyl)benzoic acid
OPENEYE Name: 2,5-bis(trifluoromethyl)benzoic acid
IUPAC Name: 2,5-bis(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2,5-bis(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C9H4F6O2
MOLECULAR WEIGHT: 258.117279
SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)C(F)(F)F
Structure:
CAS RN: 537-73-5
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)O
Structure:
CAS RN: 25522-33-2
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)O
Structure:
CAS RN: 160295-81-8
CAS Name: (2R)-2-amino-3-(1H-imidazol-5-yl)-1-propanol
OPENEYE Name: (2R)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
IUPAC Name: (2R)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SYSTEMATIC NAME: (2R)-2-azanyl-3-(1H-imidazol-5-yl)propan-1-ol
MOLECULAR FORMULA: C6H11N3O
MOLECULAR WEIGHT: 141.17104
SMILES: C1=C(NC=N1)C[C@H](CO)N
Structure:
CAS RN: 51051-82-2
CAS Name: 1-(5-bromo-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C15H11BrO3
MOLECULAR WEIGHT: 319.15004
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Br)O
Structure:
CAS RN: 33587-61-0
CAS Name: 4-hydroxy-3-(1-hydroxy-3,4-dioxo-2-naphthalenyl)naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-(1-hydroxy-3,4-dioxo-2-naphthyl)naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-oxidanyl-3-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]naphthalene-1,2-dione
MOLECULAR FORMULA: C20H10O6
MOLECULAR WEIGHT: 346.2898
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=C(C4=CC=CC=C4C(=O)C3=O)O)O
Structure:
CAS RN: 114416-91-0
CAS Name: (2R)-2-hydroxy-1,2-bis(2-pyridinyl)ethanone
OPENEYE Name: (2R)-2-hydroxy-1,2-bis(2-pyridyl)ethanone
IUPAC Name: (2R)-2-hydroxy-1,2-dipyridin-2-ylethanone
SYSTEMATIC NAME: (2R)-2-oxidanyl-1,2-dipyridin-2-yl-ethanone
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=NC(=C1)[C@H](C(=O)C2=CC=CC=N2)O
Structure:
CAS RN: 114416-90-9
CAS Name: (2S)-2-hydroxy-1,2-bis(2-pyridinyl)ethanone
OPENEYE Name: (2S)-2-hydroxy-1,2-bis(2-pyridyl)ethanone
IUPAC Name: (2S)-2-hydroxy-1,2-dipyridin-2-ylethanone
SYSTEMATIC NAME: (2S)-2-oxidanyl-1,2-dipyridin-2-yl-ethanone
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=NC(=C1)[C@@H](C(=O)C2=CC=CC=N2)O
Structure:
CAS RN: 63816-20-6
CAS Name: (2S)-2-phenylbutanedioic acid
OPENEYE Name: (2S)-2-phenylbutanedioic acid
IUPAC Name: (2S)-2-phenylbutanedioic acid
SYSTEMATIC NAME: (2S)-2-phenylbutanedioic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1=CC=C(C=C1)[C@H](CC(=O)O)C(=O)O
Structure:
CAS RN: 16212-06-9
CAS Name: [(E)-2-(benzenesulfonyl)ethenyl]benzene
OPENEYE Name: [(E)-2-(benzenesulfonyl)vinyl]benzene
IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]benzene
SYSTEMATIC NAME: [(E)-2-(phenylsulfonyl)ethenyl]benzene
MOLECULAR FORMULA: C14H12O2S
MOLECULAR WEIGHT: 244.30888
SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 52014-39-8
CAS Name: (6aS,11bS)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol
OPENEYE Name: (6aS,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
IUPAC Name: (6aS,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
SYSTEMATIC NAME: (6aS,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: C1C2=CC(=C(C=C2[C@@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O
Structure:
CAS RN: 35853-41-9
CAS Name: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one
OPENEYE Name: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one
IUPAC Name: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one
MOLECULAR FORMULA: C11H5F6NO
MOLECULAR WEIGHT: 281.153919
SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F
Structure:
CAS RN: 214263-03-3
CAS Name: 1-(2-chloro-6-fluorophenyl)-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-(2-chloro-6-fluoro-phenyl)cyclopentanecarboxylic acid
IUPAC Name: 1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-(2-chloranyl-6-fluoranyl-phenyl)cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C12H12ClFO2
MOLECULAR WEIGHT: 242.673883
SMILES: C1CCC(C1)(C2=C(C=CC=C2Cl)F)C(=O)O
Structure:
CAS RN: 4528-41-0
CAS Name: (1S)-2-(4-morpholinyl)-1-phenylethanol
OPENEYE Name: (1S)-2-morpholino-1-phenyl-ethanol
IUPAC Name: (1S)-2-morpholin-4-yl-1-phenylethanol
SYSTEMATIC NAME: (1S)-2-morpholin-4-yl-1-phenyl-ethanol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1COCCN1C[C@H](C2=CC=CC=C2)O
Structure:
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