CAS RN: 7404-76-4
CAS Name: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
OPENEYE Name: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitro-cyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitro-cyclohexyl]ethanone
IUPAC Name: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
SYSTEMATIC NAME: 1-[5-[2-(3-ethanoyl-4-methyl-1-nitro-4-oxidanyl-cyclohexyl)ethyl]-2-methyl-5-nitro-2-oxidanyl-cyclohexyl]ethanone
MOLECULAR FORMULA: C20H32N2O8
MOLECULAR WEIGHT: 428.47668
SMILES: CC(=O)C1CC(CCC1(C)O)(CCC2(CCC(C(C2)C(=O)C)(C)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7501-88-4
CAS Name: (5-nitrooctan-2-ylideneamino)urea
OPENEYE Name: [(1-methyl-4-nitro-heptylidene)amino]urea
IUPAC Name: (5-nitrooctan-2-ylideneamino)urea
SYSTEMATIC NAME: 1-(5-nitrooctan-2-ylideneamino)urea
MOLECULAR FORMULA: C9H18N4O3
MOLECULAR WEIGHT: 230.26422
SMILES: CCCC(CCC(=NNC(=O)N)C)[N+](=O)[O-]
Structure:
CAS RN: 7404-75-3
CAS Name: 1-(2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl)ethanone
OPENEYE Name: 1-(2-hydroxy-2-methyl-5-nitro-5-propyl-cyclohexyl)ethanone
IUPAC Name: 1-(2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-5-nitro-2-oxidanyl-5-propyl-cyclohexyl)ethanone
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CCCC1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]
Structure:
CAS RN: 7403-79-4
CAS Name: 2-methyl-N'-(2-methyl-1-oxopent-4-enyl)-4-pentenehydrazide
OPENEYE Name: 2-methyl-N'-(2-methylpent-4-enoyl)pent-4-enehydrazide
IUPAC Name: 2-methyl-N'-(2-methylpent-4-enoyl)pent-4-enehydrazide
SYSTEMATIC NAME: 2-methyl-N'-(2-methylpent-4-enoyl)pent-4-enehydrazide
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CC(CC=C)C(=O)NNC(=O)C(C)CC=C
Structure:
CAS RN: 7403-78-3
CAS Name: 4-butoxy-2H-phthalazin-1-one
OPENEYE Name: 4-butoxy-2H-phthalazin-1-one
IUPAC Name: 4-butoxy-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-butoxy-2H-phthalazin-1-one
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CCCCOC1=NNC(=O)C2=CC=CC=C21
Structure:
CAS RN: 2534-78-3
CAS Name: 3-bromobicyclo[2.2.2]octane
OPENEYE Name: 3-bromobicyclo[2.2.2]octane
IUPAC Name: 3-bromobicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-bromanylbicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H13Br
MOLECULAR WEIGHT: 189.09282
SMILES: C1CC2CCC1CC2Br
Structure:
CAS RN: 33741-21-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: COC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)OC
Structure:
CAS RN: 33741-22-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: COC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)OC
Structure:
CAS RN: 4271-13-0
CAS Name: methyl(phenyl)phosphinic acid
OPENEYE Name: methyl(phenyl)phosphinic acid
IUPAC Name: methyl(phenyl)phosphinic acid
SYSTEMATIC NAME: methyl(phenyl)phosphinic acid
MOLECULAR FORMULA: C7H9O2P
MOLECULAR WEIGHT: 156.118921
SMILES: CP(=O)(C1=CC=CC=C1)O
Structure:
CAS RN: 7465-42-1
CAS Name: 2-(hydroxymethyl)-5-(3-imidazo[4,5-c]pyridinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-imidazo[4,5-c]pyridin-3-yl-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-imidazo[4,5-c]pyridin-3-yloxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-imidazo[4,5-c]pyridin-3-yl-oxolane-3,4-diol
MOLECULAR FORMULA: C11H13N3O4
MOLECULAR WEIGHT: 251.23862
SMILES: C1=CN=CC2=C1N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 13432-39-8
CAS Name: 2-(hydroxymethyl)-5-(1-imidazo[4,5-b]pyridinyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-1-yl-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-1-yloxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-1-yl-oxolane-3,4-diol
MOLECULAR FORMULA: C11H13N3O4
MOLECULAR WEIGHT: 251.23862
SMILES: C1=CC2=C(N=C1)N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 7501-87-3
CAS Name: 2-(hydroxymethyl)-6-(3-imidazo[4,5-b]pyridinyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H15N3O5
MOLECULAR WEIGHT: 281.2646
SMILES: C1=CC2=C(N=C1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 7403-28-3
CAS Name: 2-(ethylthio)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
OPENEYE Name: 2-ethylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
IUPAC Name: 2-ethylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 2-ethylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C8H8N4O2S
MOLECULAR WEIGHT: 224.23972
SMILES: CCSC1=NC=C2C(=N1)NC(=O)NC2=O
Structure:
CAS RN: 7403-26-1
CAS Name: 8H-pyrimido[4,5-d]pyrimidin-5-one
OPENEYE Name: 8H-pyrimido[4,5-d]pyrimidin-5-one
IUPAC Name: 8H-pyrimido[4,5-d]pyrimidin-5-one
SYSTEMATIC NAME: 8H-pyrimido[4,5-d]pyrimidin-5-one
MOLECULAR FORMULA: C6H4N4O
MOLECULAR WEIGHT: 148.12216
SMILES: C1=C2C(=NC=N1)NC=NC2=O
Structure:
CAS RN: 7403-23-8
CAS Name: 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)acetic acid
OPENEYE Name: 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)acetic acid
IUPAC Name: 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)acetic acid
SYSTEMATIC NAME: 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)ethanoic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: C1CC2CCC(C2C1)CC(=O)O
Structure:
CAS RN: 7403-22-7
CAS Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CC2CCC(C2C1)C(=O)O
Structure:
CAS RN: 7403-21-6
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [2-(methylamino)-2-oxo-1,1-diphenylethyl] ester
OPENEYE Name: [2-(methylamino)-2-oxo-1,1-diphenyl-ethyl] 2-hydroxy-2,2-diphenyl-acetate
IUPAC Name: [2-(methylamino)-2-oxo-1,1-diphenylethyl] 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: [2-(methylamino)-2-oxidanylidene-1,1-diphenyl-ethyl] 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C29H25NO4
MOLECULAR WEIGHT: 451.5131
SMILES: CNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 467-32-3
CAS Name: 3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione
OPENEYE Name: 3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione
IUPAC Name: 3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione
SYSTEMATIC NAME: 3,3,6,6-tetraphenyl-1,4-dioxane-2,5-dione
MOLECULAR FORMULA: C28H20O4
MOLECULAR WEIGHT: 420.456
SMILES: C1=CC=C(C=C1)C2(C(=O)OC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5163-61-1
CAS Name: 2-[(5-amino-3-butyl-7-triazolo[4,5-d]pyrimidinyl)amino]butanedioic acid bis(phenylmethyl) ester
OPENEYE Name: dibenzyl 2-[(5-amino-3-butyl-triazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
IUPAC Name: dibenzyl 2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
SYSTEMATIC NAME: bis(phenylmethyl) 2-[(5-azanyl-3-butyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]butanedioate
MOLECULAR FORMULA: C26H29N7O4
MOLECULAR WEIGHT: 503.55296
SMILES: CCCCN1C2=C(C(=NC(=N2)N)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=N1
Structure:
CAS RN: 10305-45-0
CAS Name: 1-(5-amino-3-butyl-7-triazolo[4,5-d]pyrimidinyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(5-amino-3-butyl-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(5-azanyl-3-butyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C13H19N7O2
MOLECULAR WEIGHT: 305.33566
SMILES: CCCCN1C2=C(C(=NC(=N2)N)N3CCCC3C(=O)O)N=N1
Structure:
CAS RN: 7403-20-5
CAS Name: N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
OPENEYE Name: N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
IUPAC Name: N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C8H11N5S
MOLECULAR WEIGHT: 209.27144
SMILES: CCCCNC1=NC=NC2=NSN=C21
Structure:
CAS RN: 7639-71-6
CAS Name: 4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
OPENEYE Name: 4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
IUPAC Name: 4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
SYSTEMATIC NAME: 4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
MOLECULAR FORMULA: C14H9F6N
MOLECULAR WEIGHT: 305.218379
SMILES: C1=CC(=CC=C1C(F)(F)F)NC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 10018-32-3
CAS Name: 1-cyano-N,N'-bis(4-fluorophenyl)methanimidamide
OPENEYE Name: 1-cyano-N,N'-bis(4-fluorophenyl)formamidine
IUPAC Name: 1-cyano-N,N'-bis(4-fluorophenyl)methanimidamide
SYSTEMATIC NAME: 1-cyano-N,N'-bis(4-fluorophenyl)methanimidamide
MOLECULAR FORMULA: C14H9F2N3
MOLECULAR WEIGHT: 257.238166
SMILES: C1=CC(=CC=C1NC(=NC2=CC=C(C=C2)F)C#N)F
Structure:
CAS RN: 7639-58-9
CAS Name: 1-cyano-N,N'-bis(2-fluorophenyl)methanimidamide
OPENEYE Name: 1-cyano-N,N'-bis(2-fluorophenyl)formamidine
IUPAC Name: 1-cyano-N,N'-bis(2-fluorophenyl)methanimidamide
SYSTEMATIC NAME: 1-cyano-N,N'-bis(2-fluorophenyl)methanimidamide
MOLECULAR FORMULA: C14H9F2N3
MOLECULAR WEIGHT: 257.238166
SMILES: C1=CC=C(C(=C1)NC(=NC2=CC=CC=C2F)C#N)F
Structure:
CAS RN: 35975-62-3
CAS Name: 8-methyl-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-methyl-4-oxo-1H-quinoline-2-carboxylate
IUPAC Name: ethyl 8-methyl-4-oxo-1H-quinoline-2-carboxylate
SYSTEMATIC NAME: ethyl 8-methyl-4-oxidanylidene-1H-quinoline-2-carboxylate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CCOC(=O)C1=CC(=O)C2=C(N1)C(=CC=C2)C
Structure:
CAS RN: 322-71-4
CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]aniline
OPENEYE Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
SYSTEMATIC NAME: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
MOLECULAR FORMULA: C13H9F3N2O2S
MOLECULAR WEIGHT: 314.28297
SMILES: C1=CC=C(C(=C1)N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 16600-22-9
CAS Name: 7-chloro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-chloranyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Cl
Structure:
No comments:
Post a Comment