CAS RN: 6766-43-4
CAS Name: 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxo-hexyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: 4,4,9,13,14-pentamethyl-17-[6-methyl-2,5,6-tris(oxidanyl)-3-oxidanylidene-heptan-2-yl]-2,16-bis(oxidanyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C30H44O8
MOLECULAR WEIGHT: 532.66556
SMILES: CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C
Structure:
CAS RN: 19690-43-8
CAS Name: 1-[5-(chloromethyl)-3,4-dihydroxy-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(chloromethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11ClN2O5
MOLECULAR WEIGHT: 262.64704
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CCl)O)O
Structure:
CAS RN: 27945-38-6
CAS Name: 4-[(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
OPENEYE Name: 4-[(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
IUPAC Name: 4-[(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidine-2,6-dione
MOLECULAR FORMULA: C19H21N3O2
MOLECULAR WEIGHT: 323.38894
SMILES: C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4
Structure:
CAS RN: 26365-85-5
CAS Name: 4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-2,6-dione
OPENEYE Name: 4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-2,6-dione
IUPAC Name: 4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-2,6-dione
SYSTEMATIC NAME: 4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-2,6-dione
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: C1CCC2=C(C1)C(=NN2)CC3CC(=O)NC(=O)C3
Structure:
CAS RN: 16834-09-6
CAS Name: N-[(ethoxycarbonylamino)-[[(methoxyamino)-oxomethyl]amino]phosphoryl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(ethoxycarbonylamino)-(methoxycarbamoylamino)phosphoryl]carbamate
IUPAC Name: ethyl N-[(ethoxycarbonylamino)-(methoxycarbamoylamino)phosphoryl]carbamate
SYSTEMATIC NAME: ethyl N-[(ethoxycarbonylamino)-(methoxycarbamoylamino)phosphoryl]carbamate
MOLECULAR FORMULA: C8H17N4O7P
MOLECULAR WEIGHT: 312.216941
SMILES: CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC
Structure:
CAS RN: 16834-57-4
CAS Name: N-[[[1,3-dichloropropan-2-yloxy(oxo)methyl]amino]-[[(methoxyamino)-oxomethyl]amino]phosphoryl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[[[2-chloro-1-(chloromethyl)ethoxy]carbonylamino]-(methoxycarbamoylamino)phosphoryl]carbamate
IUPAC Name: ethyl N-[(1,3-dichloropropan-2-yloxycarbonylamino)-(methoxycarbamoylamino)phosphoryl]carbamate
SYSTEMATIC NAME: ethyl N-[[1,3-bis(chloranyl)propan-2-yloxycarbonylamino]-(methoxycarbamoylamino)phosphoryl]carbamate
MOLECULAR FORMULA: C9H17Cl2N4O7P
MOLECULAR WEIGHT: 395.133641
SMILES: CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl
Structure:
CAS RN: 2840-40-6
CAS Name: 1-(2-hydroxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(2-hydroxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(2-hydroxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Structure:
CAS RN: 378-61-0
CAS Name: 1,2,5-thiadiazole-3,4-dicarboxylic acid
OPENEYE Name: 1,2,5-thiadiazole-3,4-dicarboxylic acid
IUPAC Name: 1,2,5-thiadiazole-3,4-dicarboxylic acid
SYSTEMATIC NAME: 1,2,5-thiadiazole-3,4-dicarboxylic acid
MOLECULAR FORMULA: C4H2N2O4S
MOLECULAR WEIGHT: 174.13468
SMILES: C1(=NSN=C1C(=O)O)C(=O)O
Structure:
CAS RN: 21903-54-8
CAS Name: 1-(4-methoxyphenyl)tetrazole
OPENEYE Name: 1-(4-methoxyphenyl)tetrazole
IUPAC Name: 1-(4-methoxyphenyl)tetrazole
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-1,2,3,4-tetrazole
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: COC1=CC=C(C=C1)N2C=NN=N2
Structure:
CAS RN: 25249-76-7
CAS Name: 1-(4-methylphenyl)tetrazole
OPENEYE Name: 1-(p-tolyl)tetrazole
IUPAC Name: 1-(4-methylphenyl)tetrazole
SYSTEMATIC NAME: 1-(4-methylphenyl)-1,2,3,4-tetrazole
MOLECULAR FORMULA: C8H8N4
MOLECULAR WEIGHT: 160.17592
SMILES: CC1=CC=C(C=C1)N2C=NN=N2
Structure:
CAS RN: 39897-21-7
CAS Name: N-cyclohexylcyclohexanamine; 2-[[ethenoxy(oxo)methyl]amino]propanoic acid
OPENEYE Name: N-cyclohexylcyclohexanamine; 2-(vinyloxycarbonylamino)propanoic acid
IUPAC Name: N-cyclohexylcyclohexanamine; 2-(ethenoxycarbonylamino)propanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 2-(ethenoxycarbonylamino)propanoic acid
MOLECULAR FORMULA: C18H32N2O4
MOLECULAR WEIGHT: 340.45768
SMILES: CC(C(=O)O)NC(=O)OC=C.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 39897-20-6
CAS Name: N-cyclohexylcyclohexanamine; 2-[[ethenoxy(oxo)methyl]amino]-3-phenylpropanoic acid
OPENEYE Name: N-cyclohexylcyclohexanamine; 3-phenyl-2-(vinyloxycarbonylamino)propanoic acid
IUPAC Name: N-cyclohexylcyclohexanamine; 2-(ethenoxycarbonylamino)-3-phenylpropanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 2-(ethenoxycarbonylamino)-3-phenyl-propanoic acid
MOLECULAR FORMULA: C24H36N2O4
MOLECULAR WEIGHT: 416.55364
SMILES: C=COC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 52537-88-9
CAS Name: 2-[(4-methoxyanilino)methyl]phenol
OPENEYE Name: 2-[(4-methoxyanilino)methyl]phenol
IUPAC Name: 2-[(4-methoxyanilino)methyl]phenol
SYSTEMATIC NAME: 2-[[(4-methoxyphenyl)amino]methyl]phenol
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: COC1=CC=C(C=C1)NCC2=CC=CC=C2O
Structure:
CAS RN: 65880-39-9
CAS Name: 6-methylindolo[3,2-b]quinoxaline
OPENEYE Name: 6-methylindolo[3,2-b]quinoxaline
IUPAC Name: 6-methylindolo[3,2-b]quinoxaline
SYSTEMATIC NAME: 6-methylindolo[3,2-b]quinoxaline
MOLECULAR FORMULA: C15H11N3
MOLECULAR WEIGHT: 233.26794
SMILES: CN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31
Structure:
CAS RN: 51112-62-0
CAS Name: 3-(hydroxymethyl)-5-[6-(methylthio)-9-purinyl]-1,4-dioxane-2,6-diol
OPENEYE Name: 3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol
IUPAC Name: 3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol
SYSTEMATIC NAME: 3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol
MOLECULAR FORMULA: C11H14N4O5S
MOLECULAR WEIGHT: 314.31766
SMILES: CSC1=NC=NC2=C1N=CN2C3C(OC(C(O3)CO)O)O
Structure:
CAS RN: 57822-06-7
CAS Name: 5-oxononanedioic acid
OPENEYE Name: 5-oxononanedioic acid
IUPAC Name: 5-oxononanedioic acid
SYSTEMATIC NAME: 5-oxidanylidenenonanedioic acid
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: C(CC(=O)CCCC(=O)O)CC(=O)O
Structure:
CAS RN: 57129-54-1
CAS Name: 4-(1-adamantylthio)aniline
OPENEYE Name: 4-(1-adamantylsulfanyl)aniline
IUPAC Name: 4-(1-adamantylsulfanyl)aniline
SYSTEMATIC NAME: 4-(1-adamantylsulfanyl)aniline
MOLECULAR FORMULA: C16H21NS
MOLECULAR WEIGHT: 259.40964
SMILES: C1C2CC3CC1CC(C2)(C3)SC4=CC=C(C=C4)N
Structure:
CAS RN: 29799-07-3
CAS Name: 4-(1-adamantyl)phenol
OPENEYE Name: 4-(1-adamantyl)phenol
IUPAC Name: 4-(1-adamantyl)phenol
SYSTEMATIC NAME: 4-(1-adamantyl)phenol
MOLECULAR FORMULA: C16H20O
MOLECULAR WEIGHT: 228.3294
SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)O
Structure:
CAS RN: 19882-03-2
CAS Name: 13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
OPENEYE Name: 13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
IUPAC Name: 13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
SYSTEMATIC NAME: 13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CCC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 67953-30-4
CAS Name: 1-(2-chloroethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)urea
MOLECULAR FORMULA: C14H17ClN4O2
MOLECULAR WEIGHT: 308.76338
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NCCCl
Structure:
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