CAS RN: 22979-69-7
CAS Name: 2-(2,4-dichlorophenoxy)-N-[2-(phenylmethylthio)ethyl]acetamide
OPENEYE Name: N-(2-benzylsulfanylethyl)-2-(2,4-dichlorophenoxy)acetamide
IUPAC Name: N-(2-benzylsulfanylethyl)-2-(2,4-dichlorophenoxy)acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide
MOLECULAR FORMULA: C17H17Cl2NO2S
MOLECULAR WEIGHT: 370.29338
SMILES: C1=CC=C(C=C1)CSCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 24692-20-4
CAS Name: triethylgermylformonitrile
OPENEYE Name: triethylgermylformonitrile
IUPAC Name: triethylgermylformonitrile
SYSTEMATIC NAME: triethylgermylmethanenitrile
MOLECULAR FORMULA: C7H15GeN
MOLECULAR WEIGHT: 185.8407
SMILES: CC[Ge](CC)(CC)C#N
Structure:
CAS RN: 85630-18-8
CAS Name: N,N-diethylcarbamic acid (4-methoxyphenyl) ester
OPENEYE Name: (4-methoxyphenyl) N,N-diethylcarbamate
IUPAC Name: (4-methoxyphenyl) N,N-diethylcarbamate
SYSTEMATIC NAME: (4-methoxyphenyl) N,N-diethylcarbamate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CCN(CC)C(=O)OC1=CC=C(C=C1)OC
Structure:
CAS RN: 15371-04-7
CAS Name: 3-acetyl-2H-phthalazine-1,4-dione
OPENEYE Name: 3-acetyl-2H-phthalazine-1,4-dione
IUPAC Name: 3-acetyl-2H-phthalazine-1,4-dione
SYSTEMATIC NAME: 3-ethanoyl-2H-phthalazine-1,4-dione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: CC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1
Structure:
CAS RN: 27282-80-0
CAS Name: 4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
IUPAC Name: 4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-methyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C4H4Cl2N4
MOLECULAR WEIGHT: 179.00736
SMILES: CNC1=NC(=NC(=N1)Cl)Cl
Structure:
CAS RN: 28174-20-1
CAS Name: 1-[2-[[(butylthio)-oxomethyl]thio]ethyl]-3-prop-2-enylurea
OPENEYE Name: 1-allyl-3-(2-butylsulfanylcarbonylsulfanylethyl)urea
IUPAC Name: 1-(2-butylsulfanylcarbonylsulfanylethyl)-3-prop-2-enylurea
SYSTEMATIC NAME: 1-(2-butylsulfanylcarbonylsulfanylethyl)-3-prop-2-enyl-urea
MOLECULAR FORMULA: C11H20N2O2S2
MOLECULAR WEIGHT: 276.4187
SMILES: CCCCSC(=O)SCCNC(=O)NCC=C
Structure:
CAS RN: 93480-41-2
CAS Name: [2-[[oxo(propoxy)methyl]amino]ethylthio]formic acid propyl ester
OPENEYE Name: propyl 2-(propoxycarbonylamino)ethylsulfanylformate
IUPAC Name: propyl 2-(propoxycarbonylamino)ethylsulfanylformate
SYSTEMATIC NAME: propyl 2-(propoxycarbonylamino)ethylsulfanylmethanoate
MOLECULAR FORMULA: C10H19NO4S
MOLECULAR WEIGHT: 249.32716
SMILES: CCCOC(=O)NCCSC(=O)OCCC
Structure:
CAS RN: 14047-29-1
CAS Name: 4-boronobenzoic acid
OPENEYE Name: 4-boronobenzoic acid
IUPAC Name: 4-boronobenzoic acid
SYSTEMATIC NAME: 4-(dihydroxyboranyl)benzoic acid
MOLECULAR FORMULA: C7H7BO4
MOLECULAR WEIGHT: 165.93908
SMILES: B(C1=CC=C(C=C1)C(=O)O)(O)O
Structure:
CAS RN: 23531-32-0
CAS Name: 4-methylbenzenesulfonic acid 2-nitrobutyl ester
OPENEYE Name: 2-nitrobutyl 4-methylbenzenesulfonate
IUPAC Name: 2-nitrobutyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-nitrobutyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C11H15NO5S
MOLECULAR WEIGHT: 273.3055
SMILES: CCC(COS(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]
Structure:
CAS RN: 7526-45-6
CAS Name: 1-dibutylphosphoryloxy-2-fluorobenzene
OPENEYE Name: 1-dibutylphosphoryloxy-2-fluoro-benzene
IUPAC Name: 1-dibutylphosphoryloxy-2-fluorobenzene
SYSTEMATIC NAME: 1-dibutylphosphoryloxy-2-fluoranyl-benzene
MOLECULAR FORMULA: C14H22FO2P
MOLECULAR WEIGHT: 272.295444
SMILES: CCCCP(=O)(CCCC)OC1=CC=CC=C1F
Structure:
CAS RN: 26076-49-3
CAS Name: 2-[4-(1,3,6,2-dioxazaborocan-2-yl)phenyl]-1,3,6,2-dioxazaborocane
OPENEYE Name: 2-[4-(1,3,6,2-dioxazaborocan-2-yl)phenyl]-1,3,6,2-dioxazaborocane
IUPAC Name: 2-[4-(1,3,6,2-dioxazaborocan-2-yl)phenyl]-1,3,6,2-dioxazaborocane
SYSTEMATIC NAME: 2-[4-(1,3,6,2-dioxazaborocan-2-yl)phenyl]-1,3,6,2-dioxazaborocane
MOLECULAR FORMULA: C14H22B2N2O4
MOLECULAR WEIGHT: 303.95748
SMILES: B1(OCCNCCO1)C2=CC=C(C=C2)B3OCCNCCO3
Structure:
CAS RN: 14666-15-0
CAS Name: bis(2,3,4,5,6-pentachlorophenoxy)methanimine
OPENEYE Name: bis(2,3,4,5,6-pentachlorophenoxy)methanimine
IUPAC Name: bis(2,3,4,5,6-pentachlorophenoxy)methanimine
SYSTEMATIC NAME: bis[2,3,4,5,6-pentakis(chloranyl)phenoxy]methanimine
MOLECULAR FORMULA: C13HCl10NO2
MOLECULAR WEIGHT: 557.68254
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC(=N)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 92307-17-0
CAS Name: 1-hydroxy-3-phenyl-1-(2,2,2-trichloro-1-iminoethyl)urea
OPENEYE Name: 1-hydroxy-3-phenyl-1-(2,2,2-trichloroethanimidoyl)urea
IUPAC Name: 1-hydroxy-3-phenyl-1-(2,2,2-trichloroethanimidoyl)urea
SYSTEMATIC NAME: 1-oxidanyl-3-phenyl-1-[2,2,2-tris(chloranyl)ethanimidoyl]urea
MOLECULAR FORMULA: C9H8Cl3N3O2
MOLECULAR WEIGHT: 296.53772
SMILES: C1=CC=C(C=C1)NC(=O)N(C(=N)C(Cl)(Cl)Cl)O
Structure:
CAS RN: 35424-56-7
CAS Name: 1-chloro-4-(iodomethyl)benzene
OPENEYE Name: 1-chloro-4-(iodomethyl)benzene
IUPAC Name: 1-chloro-4-(iodomethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(iodanylmethyl)benzene
MOLECULAR FORMULA: C7H6ClI
MOLECULAR WEIGHT: 252.48001
SMILES: C1=CC(=CC=C1CI)Cl
Structure:
CAS RN: 1150-21-6
CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonamide
OPENEYE Name: 4-(1-piperidylsulfonyl)benzenesulfonamide
IUPAC Name: 4-piperidin-1-ylsulfonylbenzenesulfonamide
SYSTEMATIC NAME: 4-piperidin-1-ylsulfonylbenzenesulfonamide
MOLECULAR FORMULA: C11H16N2O4S2
MOLECULAR WEIGHT: 304.38574
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N
Structure:
CAS RN: 1224-80-2
CAS Name: N4-cyclohexylbenzene-1,4-disulfonamide
OPENEYE Name: N4-cyclohexylbenzene-1,4-disulfonamide
IUPAC Name: 4-N-cyclohexylbenzene-1,4-disulfonamide
SYSTEMATIC NAME: N4-cyclohexylbenzene-1,4-disulfonamide
MOLECULAR FORMULA: C12H18N2O4S2
MOLECULAR WEIGHT: 318.41232
SMILES: C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N
Structure:
CAS RN: 4889-95-6
CAS Name: 1-spiro[2,3-dihydronaphthalene-4,1'-cyclopentane]one
OPENEYE Name: spiro[cyclopentane-1,4'-tetralin]-1'-one
IUPAC Name: spiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
SYSTEMATIC NAME: spiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one
MOLECULAR FORMULA: C14H16O
MOLECULAR WEIGHT: 200.27624
SMILES: C1CCC2(C1)CCC(=O)C3=CC=CC=C23
Structure:
CAS RN: 55420-10-5
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-[2,2,3,3,3-pentakis(fluoranyl)propyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H13F5N2O6
MOLECULAR WEIGHT: 376.233436
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)CC(C(F)(F)F)(F)F
Structure:
CAS RN: 17187-50-7
CAS Name: 5-[(4-hydroxyphenyl)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(4-hydroxyphenyl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(4-hydroxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-hydroxyphenyl)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: C1=CC(=CC=C1CC2=CNC(=O)NC2=O)O
Structure:
CAS RN: 59727-25-2
CAS Name: 5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[2,2,3,3,4,4,4-heptakis(fluoranyl)butoxymethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H7F7N2O3
MOLECULAR WEIGHT: 324.152302
SMILES: C1=C(C(=O)NC(=O)N1)COCC(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 59694-30-3
CAS Name: 5-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[2,2,3,3-tetrakis(fluoranyl)propoxymethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H8F4N2O3
MOLECULAR WEIGHT: 256.154333
SMILES: C1=C(C(=O)NC(=O)N1)COCC(C(F)F)(F)F
Structure:
CAS RN: 59694-29-0
CAS Name: 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[2,2,2-tris(fluoranyl)ethoxymethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H7F3N2O3
MOLECULAR WEIGHT: 224.13729
SMILES: C1=C(C(=O)NC(=O)N1)COCC(F)(F)F
Structure:
CAS RN: 68019-54-5
CAS Name: 6-methyl-2-(2-naphthalenyloxy)-2-oxo-1,3-dihydro-1,3,2$l^{5}-diazaphosphorin-4-one
OPENEYE Name: 6-methyl-2-(2-naphthyloxy)-2-oxo-1,3-dihydro-1,3,2$l^{5}-diazaphosphinin-4-one
IUPAC Name: 6-methyl-2-naphthalen-2-yloxy-2-oxo-1,3-dihydro-1,3,2$l^{5}-diazaphosphinin-4-one
SYSTEMATIC NAME: 6-methyl-2-naphthalen-2-yloxy-2-oxidanylidene-1,3-dihydro-1,3,2$l^{5}-diazaphosphinin-4-one
MOLECULAR FORMULA: C14H13N2O3P
MOLECULAR WEIGHT: 288.238381
SMILES: CC1=CC(=O)NP(=O)(N1)OC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 53838-90-7
CAS Name: 2-[3-(2-aminoethyl)-1-indolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[3-(2-aminoethyl)indol-1-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[3-(2-aminoethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: C1=CC=C2C(=C1)C(=CN2C3C(C(C(C(O3)CO)O)O)O)CCN
Structure:
CAS RN: 49834-58-4
CAS Name: N,N-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-amine
OPENEYE Name: N,N-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-amine
IUPAC Name: N,N-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-amine
SYSTEMATIC NAME: N,N-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-amine
MOLECULAR FORMULA: C8H10N4
MOLECULAR WEIGHT: 162.1918
SMILES: CN(C)C1=C2C=NNC2=NC=C1
Structure:
CAS RN: 49834-57-3
CAS Name: 2-[4-(dimethylamino)-1-pyrazolo[3,4-b]pyridinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[4-(dimethylamino)pyrazolo[3,4-b]pyridin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[4-(dimethylamino)pyrazolo[3,4-b]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[4-(dimethylamino)pyrazolo[3,4-b]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H18N4O4
MOLECULAR WEIGHT: 294.30642
SMILES: CN(C)C1=C2C=NN(C2=NC=C1)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 49834-61-9
CAS Name: 2-(4-amino-1-pyrazolo[3,4-b]pyridinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(4-aminopyrazolo[3,4-b]pyridin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-aminopyrazolo[3,4-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-azanylpyrazolo[3,4-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4
MOLECULAR WEIGHT: 266.25326
SMILES: C1=CN=C2C(=C1N)C=NN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 49834-62-0
CAS Name: 1H-pyrazolo[3,4-b]pyridin-4-amine
OPENEYE Name: 1H-pyrazolo[3,4-b]pyridin-4-amine
IUPAC Name: 1H-pyrazolo[3,4-b]pyridin-4-amine
SYSTEMATIC NAME: 1H-pyrazolo[3,4-b]pyridin-4-amine
MOLECULAR FORMULA: C6H6N4
MOLECULAR WEIGHT: 134.13864
SMILES: C1=CN=C2C(=C1N)C=NN2
Structure:
CAS RN: 67189-83-7
CAS Name: 2-(5-nitro-1-indolyl)oxane-3,4,5-triol
OPENEYE Name: 2-(5-nitroindol-1-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(5-nitroindol-1-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(5-nitroindol-1-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1C(C(C(C(O1)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])O)O)O
Structure:
CAS RN: 64842-62-2
CAS Name: 2-(6-chloro-4-methyl-1-pyrrolo[2,3-b]pyridinyl)oxane-3,4,5-triol
OPENEYE Name: 2-(6-chloro-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(6-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(6-chloranyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)oxane-3,4,5-triol
MOLECULAR FORMULA: C13H15ClN2O4
MOLECULAR WEIGHT: 298.7222
SMILES: CC1=CC(=NC2=C1C=CN2C3C(C(C(CO3)O)O)O)Cl
Structure:
CAS RN: 19545-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O8
MOLECULAR WEIGHT: 428.43186
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
Structure:
CAS RN: 67005-97-4
CAS Name: 2-(hydroxymethyl)-5-[6-(prop-2-ynylamino)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[6-(prop-2-ynylamino)purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[6-(prop-2-ynylamino)purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-(prop-2-ynylamino)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C13H15N5O4
MOLECULAR WEIGHT: 305.2893
SMILES: C#CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 63849-36-5
CAS Name: 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxo-2-naphthalenyl)propanoic acid [6-[(4-hydroxy-6-methoxy-2,4-dimethyl-3-oxanyl)oxy]-2-methyl-3-oxanyl] ester
OPENEYE Name: [6-(4-hydroxy-6-methoxy-2,4-dimethyl-tetrahydropyran-3-yl)oxy-2-methyl-tetrahydropyran-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxo-2-naphthyl)propanoate
IUPAC Name: [6-(4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate
SYSTEMATIC NAME: [6-(6-methoxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl)oxy-2-methyl-oxan-3-yl] 2-methyl-3-[6-methyl-5,8-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C29H38O10
MOLECULAR WEIGHT: 546.60602
SMILES: CC1C(CCC(O1)OC2C(OC(CC2(C)O)OC)C)OC(=O)C(C)C(C3=CC4=C(C=C3)C(=O)C(=CC4=O)C)O
Structure:
CAS RN: 57680-37-2
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(4-chloro-3-triazolo[4,5-c]pyridinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(4-chlorotriazolo[4,5-c]pyridin-3-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(4-chloranyl-[1,2,3]triazolo[4,5-c]pyridin-3-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H23ClN4O7
MOLECULAR WEIGHT: 598.98992
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C=CN=C4Cl)N=N3)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Structure:
CAS RN: 64741-15-7
CAS Name: N-(3-chlorophenyl)-3-phenyl-2-propenamide
OPENEYE Name: N-(3-chlorophenyl)-3-phenyl-prop-2-enamide
IUPAC Name: N-(3-chlorophenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C15H12ClNO
MOLECULAR WEIGHT: 257.71488
SMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 64947-06-4
CAS Name: 2,5-bis(methylamino)-3,6-bis(2-methyl-1-aziridinyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(methylamino)-3,6-bis(2-methylaziridin-1-yl)-1,4-benzoquinone
IUPAC Name: 2,5-bis(methylamino)-3,6-bis(2-methylaziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(methylamino)-3,6-bis(2-methylaziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C14H20N4O2
MOLECULAR WEIGHT: 276.3342
SMILES: CC1CN1C2=C(C(=O)C(=C(C2=O)NC)N3CC3C)NC
Structure:
CAS RN: 25873-32-9
CAS Name: acetic acid (8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) ester
OPENEYE Name: (8-hydroxy-5,8-dimethyl-1-methylene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate
IUPAC Name: (8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate
SYSTEMATIC NAME: (5,8-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC1=CC2C(CC3C1C(CC3(C)O)OC(=O)C)C(=C)C(=O)O2
Structure:
CAS RN: 25873-31-8
CAS Name: 2-methyl-2-propenoic acid [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ester
OPENEYE Name: [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
IUPAC Name: [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(1S,3aS,4R,5S,5aS,8aR,9S,9aS)-1,5,8a-trimethyl-4-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@@H]3[C@@H](C(=O)O[C@@H]3[C@@H]1O)C)OC(=O)C(=C)C)C
Structure:
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