CAS RN: 7461-50-9
CAS Name: 2-chloro-4-pyrimidinamine
OPENEYE Name: 2-chloropyrimidin-4-amine
IUPAC Name: 2-chloropyrimidin-4-amine
SYSTEMATIC NAME: 2-chloranylpyrimidin-4-amine
MOLECULAR FORMULA: C4H4ClN3
MOLECULAR WEIGHT: 129.54766
SMILES: C1=CN=C(N=C1N)Cl
Structure:
CAS RN: 65714-65-0
CAS Name: 2-cyano-2-(9-xanthenylidene)acetic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-2-xanthen-9-ylidene-acetate
IUPAC Name: ethyl 2-cyano-2-xanthen-9-ylideneacetate
SYSTEMATIC NAME: ethyl 2-cyano-2-xanthen-9-ylidene-ethanoate
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: CCOC(=O)C(=C1C2=CC=CC=C2OC3=CC=CC=C31)C#N
Structure:
CAS RN: 33083-79-3
CAS Name: 1-naphthalenyl(phenyl)methanethione
OPENEYE Name: 1-naphthyl(phenyl)methanethione
IUPAC Name: naphthalen-1-yl(phenyl)methanethione
SYSTEMATIC NAME: naphthalen-1-yl(phenyl)methanethione
MOLECULAR FORMULA: C17H12S
MOLECULAR WEIGHT: 248.34218
SMILES: C1=CC=C(C=C1)C(=S)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 7404-49-1
CAS Name: oxalic acid; pentylhydrazine
OPENEYE Name: oxalic acid; pentylhydrazine
IUPAC Name: oxalic acid; pentylhydrazine
SYSTEMATIC NAME: ethanedioic acid; pentyldiazane
MOLECULAR FORMULA: C7H16N2O4
MOLECULAR WEIGHT: 192.21294
SMILES: CCCCCNN.C(=O)(C(=O)O)O
Structure:
CAS RN: 7404-48-0
CAS Name: 5-phenyl-3,3-bis(phenylmethyl)-2-oxolanone
OPENEYE Name: 3,3-dibenzyl-5-phenyl-tetrahydrofuran-2-one
IUPAC Name: 3,3-dibenzyl-5-phenyloxolan-2-one
SYSTEMATIC NAME: 5-phenyl-3,3-bis(phenylmethyl)oxolan-2-one
MOLECULAR FORMULA: C24H22O2
MOLECULAR WEIGHT: 342.43028
SMILES: C1C(OC(=O)C1(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 7502-08-1
CAS Name: 3,4,5-triphenyl-2-oxolanone
OPENEYE Name: 3,4,5-triphenyltetrahydrofuran-2-one
IUPAC Name: 3,4,5-triphenyloxolan-2-one
SYSTEMATIC NAME: 3,4,5-triphenyloxolan-2-one
MOLECULAR FORMULA: C22H18O2
MOLECULAR WEIGHT: 314.37712
SMILES: C1=CC=C(C=C1)C2C(C(=O)OC2C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 7404-47-9
CAS Name: 5-phenyl-3,3-bis(phenylmethyl)-2-furanone
OPENEYE Name: 3,3-dibenzyl-5-phenyl-furan-2-one
IUPAC Name: 3,3-dibenzyl-5-phenylfuran-2-one
SYSTEMATIC NAME: 5-phenyl-3,3-bis(phenylmethyl)furan-2-one
MOLECULAR FORMULA: C24H20O2
MOLECULAR WEIGHT: 340.4144
SMILES: C1=CC=C(C=C1)CC2(C=C(OC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
Structure:
CAS RN: 7465-47-6
CAS Name: 3,3-bis(phenylmethyl)oxolane-2,5-dione
OPENEYE Name: 3,3-dibenzyltetrahydrofuran-2,5-dione
IUPAC Name: 3,3-dibenzyloxolane-2,5-dione
SYSTEMATIC NAME: 3,3-bis(phenylmethyl)oxolane-2,5-dione
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: C1C(=O)OC(=O)C1(CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 7404-46-8
CAS Name: 2,3,4-triphenyl-2H-furan-5-one
OPENEYE Name: 2,3,4-triphenyl-2H-furan-5-one
IUPAC Name: 2,3,4-triphenyl-2H-furan-5-one
SYSTEMATIC NAME: 2,3,4-triphenyl-2H-furan-5-one
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1=CC=C(C=C1)C2C(=C(C(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 7465-46-5
CAS Name: 2-(iodomethyl)-6-methoxy-3,4,5-tris-(triphenylmethyl)oxyoxane
OPENEYE Name: 2-(iodomethyl)-6-methoxy-3,4,5-tritrityloxy-tetrahydropyran
IUPAC Name: 2-(iodomethyl)-6-methoxy-3,4,5-tritrityloxyoxane
SYSTEMATIC NAME: 2-(iodanylmethyl)-6-methoxy-3,4,5-tris-(triphenylmethyl)oxy-oxane
MOLECULAR FORMULA: C64H55IO5
MOLECULAR WEIGHT: 1031.02297
SMILES: COC1C(C(C(C(O1)CI)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
Structure:
CAS RN: 7404-45-7
CAS Name: 2-(bromomethyl)-6-methoxy-3,4,5-tris-(triphenylmethyl)oxyoxane
OPENEYE Name: 2-(bromomethyl)-6-methoxy-3,4,5-tritrityloxy-tetrahydropyran
IUPAC Name: 2-(bromomethyl)-6-methoxy-3,4,5-tritrityloxyoxane
SYSTEMATIC NAME: 2-(bromomethyl)-6-methoxy-3,4,5-tris-(triphenylmethyl)oxy-oxane
MOLECULAR FORMULA: C64H55BrO5
MOLECULAR WEIGHT: 984.0225
SMILES: COC1C(C(C(C(O1)CBr)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
Structure:
CAS RN: 7404-43-5
CAS Name: 6,6-bis[(phenylmethyl)sulfonyl]hexane-1,2,3,4,5-pentol
OPENEYE Name: 6,6-bis(benzylsulfonyl)hexane-1,2,3,4,5-pentol
IUPAC Name: 6,6-bis(benzylsulfonyl)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 6,6-bis[(phenylmethyl)sulfonyl]hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C20H26O9S2
MOLECULAR WEIGHT: 474.54504
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C(C(C(C(CO)O)O)O)O)S(=O)(=O)CC2=CC=CC=C2
Structure:
CAS RN: 6422-34-0
CAS Name: 2,3,4,5-tetrahydroxyhexanoic acid
OPENEYE Name: 2,3,4,5-tetrahydroxyhexanoic acid
IUPAC Name: 2,3,4,5-tetrahydroxyhexanoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: CC(C(C(C(C(=O)O)O)O)O)O
Structure:
CAS RN: 7404-41-3
CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol; 2,3,4,5-tetrahydroxyhexanoic acid
OPENEYE Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol; 2,3,4,5-tetrahydroxyhexanoic acid
IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; 2,3,4,5-tetrahydroxyhexanoic acid
SYSTEMATIC NAME: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; 2,3,4,5-tetrakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C26H36N2O8
MOLECULAR WEIGHT: 504.57264
SMILES: CC(C(C(C(C(=O)O)O)O)O)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Structure:
CAS RN: 7404-38-8
CAS Name: 2,3,4,5-tetrahydroxy-N1',N6'-diphenylhexanedihydrazide
OPENEYE Name: 2,3,4,5-tetrahydroxy-N1',N6'-diphenyl-hexanedihydrazide
IUPAC Name: 2,3,4,5-tetrahydroxy-1-N',6-N'-diphenylhexanedihydrazide
SYSTEMATIC NAME: 2,3,4,5-tetrakis(oxidanyl)-N1',N6'-diphenyl-hexanedihydrazide
MOLECULAR FORMULA: C18H22N4O6
MOLECULAR WEIGHT: 390.39048
SMILES: C1=CC=C(C=C1)NNC(=O)C(C(C(C(C(=O)NNC2=CC=CC=C2)O)O)O)O
Structure:
CAS RN: 7468-49-7
CAS Name: 2-(6-methoxy-4-methyl-2-quinolinyl)-1-cyclohexanecarboxylic acid
OPENEYE Name: 2-(6-methoxy-4-methyl-2-quinolyl)cyclohexanecarboxylic acid
IUPAC Name: 2-(6-methoxy-4-methylquinolin-2-yl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(6-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CC1=CC(=NC2=C1C=C(C=C2)OC)C3CCCCC3C(=O)O
Structure:
CAS RN: 7598-49-4
CAS Name: acetic acid [3,4-diacetyloxy-5-(acetyloxymethyl)-5-ethoxy-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(acetoxymethyl)-5-ethoxy-tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(acetyloxymethyl)-5-ethoxyoxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(acetyloxymethyl)-5-ethoxy-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H24O10
MOLECULAR WEIGHT: 376.35576
SMILES: CCOC1(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
Structure:
CAS RN: 24871-54-3
CAS Name: acetic acid [4,5,6-triacetyloxy-2-(iodomethyl)-3-oxanyl] ester
OPENEYE Name: [4,5,6-triacetoxy-2-(iodomethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5,6-triacetyloxy-2-(iodomethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5,6-triacetyloxy-2-(iodanylmethyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H19IO9
MOLECULAR WEIGHT: 458.19973
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CI
Structure:
CAS RN: 7468-48-6
CAS Name: acetic acid [4,5,6-triacetyloxy-2-(iodomethyl)-3-oxanyl] ester
OPENEYE Name: [4,5,6-triacetoxy-2-(iodomethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5,6-triacetyloxy-2-(iodomethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5,6-triacetyloxy-2-(iodanylmethyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H19IO9
MOLECULAR WEIGHT: 458.19973
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CI
Structure:
CAS RN: 10225-48-6
CAS Name: acetic acid [4,5,6-triacetyloxy-2-(bromomethyl)-3-oxanyl] ester
OPENEYE Name: [4,5,6-triacetoxy-2-(bromomethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H19BrO9
MOLECULAR WEIGHT: 411.19926
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CBr
Structure:
CAS RN: 7404-34-4
CAS Name: acetic acid [4,5,6-triacetyloxy-2-(bromomethyl)-3-oxanyl] ester
OPENEYE Name: [4,5,6-triacetoxy-2-(bromomethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H19BrO9
MOLECULAR WEIGHT: 411.19926
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CBr
Structure:
CAS RN: 1220-99-1
CAS Name: 1-(5,5-dioxo-10-phenothiazinyl)ethanone
OPENEYE Name: 1-(5,5-dioxophenothiazin-10-yl)ethanone
IUPAC Name: 1-(5,5-dioxophenothiazin-10-yl)ethanone
SYSTEMATIC NAME: 1-[5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanone
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: CC(=O)N1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31
Structure:
CAS RN: 7468-47-5
CAS Name: acetic acid [4,5-diacetyloxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C13H20O9
MOLECULAR WEIGHT: 320.2925
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)CO
Structure:
CAS RN: 7404-33-3
CAS Name: 2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide
OPENEYE Name: 2,3,5,6-tetrahydroxy-4-methoxy-N'-phenyl-hexanehydrazide
IUPAC Name: 2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide
SYSTEMATIC NAME: 4-methoxy-2,3,5,6-tetrakis(oxidanyl)-N'-phenyl-hexanehydrazide
MOLECULAR FORMULA: C13H20N2O6
MOLECULAR WEIGHT: 300.3077
SMILES: COC(C(CO)O)C(C(C(=O)NNC1=CC=CC=C1)O)O
Structure:
CAS RN: 7404-32-2
CAS Name: acetic acid [4,5-diacetyloxy-2-(bromomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-2-(bromomethyl)-6-methoxyoxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-2-(bromomethyl)-6-methoxy-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C13H19BrO8
MOLECULAR WEIGHT: 383.18916
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)CBr
Structure:
CAS RN: 7404-31-1
CAS Name: 2-hydroxyacetic acid [2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-hydroxyacetate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-hydroxyacetate
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-oxidanylethanoate
MOLECULAR FORMULA: C10H9BrO4
MOLECULAR WEIGHT: 273.08006
SMILES: C1=CC(=CC=C1C(=O)COC(=O)CO)Br
Structure:
CAS RN: 7404-29-7
CAS Name: 2,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
OPENEYE Name: 2,6-bis(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2,6-bis(hydroxymethyl)-2-methoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C8H16O7
MOLECULAR WEIGHT: 224.20844
SMILES: COC1(C(C(C(C(O1)CO)O)O)O)CO
Structure:
CAS RN: 7404-30-0
CAS Name: 2,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
OPENEYE Name: 2,6-bis(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2,6-bis(hydroxymethyl)-2-methoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C8H16O7
MOLECULAR WEIGHT: 224.20844
SMILES: COC1(C(C(C(C(O1)CO)O)O)O)CO
Structure:
CAS RN: 27552-11-0
CAS Name: 6-(hydroxymethyl)-5-methoxyoxane-2,3,4-triol
OPENEYE Name: 6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2,3,4-triol
IUPAC Name: 6-(hydroxymethyl)-5-methoxyoxane-2,3,4-triol
SYSTEMATIC NAME: 6-(hydroxymethyl)-5-methoxy-oxane-2,3,4-triol
MOLECULAR FORMULA: C7H14O6
MOLECULAR WEIGHT: 194.18246
SMILES: COC1C(OC(C(C1O)O)O)CO
Structure:
CAS RN: 7468-45-3
CAS Name: 6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
OPENEYE Name: 6-(hydroxymethyl)-2,5-dimethoxy-tetrahydropyran-3,4-diol
IUPAC Name: 6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
SYSTEMATIC NAME: 6-(hydroxymethyl)-2,5-dimethoxy-oxane-3,4-diol
MOLECULAR FORMULA: C8H16O6
MOLECULAR WEIGHT: 208.20904
SMILES: COC1C(OC(C(C1O)O)OC)CO
Structure:
CAS RN: 7404-27-5
CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2-hydroxyacetic acid
OPENEYE Name: 2-benzylisothiourea; 2-hydroxyacetic acid
IUPAC Name: benzyl carbamimidothioate; 2-hydroxyacetic acid
SYSTEMATIC NAME: 2-oxidanylethanoic acid; (phenylmethyl) carbamimidothioate
MOLECULAR FORMULA: C10H14N2O3S
MOLECULAR WEIGHT: 242.29476
SMILES: C1=CC=C(C=C1)CSC(=N)N.C(C(=O)O)O
Structure:
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