CAS RN: 72578-43-9
CAS Name: 5,6-dimethyl-7-(4-methylphenyl)-4-pyrrolo[2,3-d]pyrimidinamine
OPENEYE Name: 5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C15H16N4
MOLECULAR WEIGHT: 252.31434
SMILES: CC1=CC=C(C=C1)N2C(=C(C3=C2N=CN=C3N)C)C
Structure:
CAS RN: 72578-37-1
CAS Name: 7-(4-methoxyphenyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinamine
OPENEYE Name: 7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C15H16N4O
MOLECULAR WEIGHT: 268.31374
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)OC)C
Structure:
CAS RN: 19375-62-3
CAS Name: 5-amino-1-[ethylamino(sulfanylidene)methyl]-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-1-(ethylcarbamothioyl)pyrazole-4-carboxylate
IUPAC Name: ethyl 5-amino-1-(ethylcarbamothioyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-1-(ethylcarbamothioyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C9H14N4O2S
MOLECULAR WEIGHT: 242.29806
SMILES: CCNC(=S)N1C(=C(C=N1)C(=O)OCC)N
Structure:
CAS RN: 98998-60-8
CAS Name: 6-(carbamothioylamino)hexanoic acid methyl ester
OPENEYE Name: methyl 6-(carbamothioylamino)hexanoate
IUPAC Name: methyl 6-(carbamothioylamino)hexanoate
SYSTEMATIC NAME: methyl 6-(carbamothioylamino)hexanoate
MOLECULAR FORMULA: C8H16N2O2S
MOLECULAR WEIGHT: 204.28984
SMILES: COC(=O)CCCCCNC(=S)N
Structure:
CAS RN: 61689-99-4
CAS Name: 2-(1-methyl-2-benzimidazolyl)ethanethioamide
OPENEYE Name: 2-(1-methylbenzimidazol-2-yl)thioacetamide
IUPAC Name: 2-(1-methylbenzimidazol-2-yl)ethanethioamide
SYSTEMATIC NAME: 2-(1-methylbenzimidazol-2-yl)ethanethioamide
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CN1C2=CC=CC=C2N=C1CC(=S)N
Structure:
CAS RN: 76429-65-7
CAS Name: 2-bromo-1-(2-bromoethoxy)-4-chlorobenzene
OPENEYE Name: 2-bromo-1-(2-bromoethoxy)-4-chloro-benzene
IUPAC Name: 2-bromo-1-(2-bromoethoxy)-4-chlorobenzene
SYSTEMATIC NAME: 2-bromanyl-1-(2-bromoethyloxy)-4-chloranyl-benzene
MOLECULAR FORMULA: C8H7Br2ClO
MOLECULAR WEIGHT: 314.40158
SMILES: C1=CC(=C(C=C1Cl)Br)OCCBr
Structure:
CAS RN: 91271-82-8
CAS Name: [2-(4-morpholinylmethyl)phenyl]methanamine
OPENEYE Name: [2-(morpholinomethyl)phenyl]methanamine
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]methanamine
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl]methanamine
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: C1COCCN1CC2=CC=CC=C2CN
Structure:
CAS RN: 62995-59-9
CAS Name: 2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid methyl ester
OPENEYE Name: methyl 2-(2-methyl-1H-indol-3-yl)-2-oxo-acetate
IUPAC Name: methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
SYSTEMATIC NAME: methyl 2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)C(=O)OC
Structure:
CAS RN: 46055-91-8
CAS Name: 2-(1,3-benzothiazol-2-yl)ethanol
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)ethanol
IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethanol
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)ethanol
MOLECULAR FORMULA: C9H9NOS
MOLECULAR WEIGHT: 179.23886
SMILES: C1=CC=C2C(=C1)N=C(S2)CCO
Structure:
CAS RN: 13482-78-5
CAS Name: 3-[1-(phenylmethyl)-4-triazolyl]-2-propenal
OPENEYE Name: 3-(1-benzyltriazol-4-yl)prop-2-enal
IUPAC Name: 3-(1-benzyltriazol-4-yl)prop-2-enal
SYSTEMATIC NAME: 3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enal
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: C1=CC=C(C=C1)CN2C=C(N=N2)C=CC=O
Structure:
CAS RN: 72578-33-7
CAS Name: 7-(4-chlorophenyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinamine
OPENEYE Name: 7-(4-chlorophenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 7-(4-chlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 7-(4-chlorophenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C14H13ClN4
MOLECULAR WEIGHT: 272.73282
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)Cl)C
Structure:
CAS RN: 62210-26-8
CAS Name: 4-isothiocyanatobutanoic acid methyl ester
OPENEYE Name: methyl 4-isothiocyanatobutanoate
IUPAC Name: methyl 4-isothiocyanatobutanoate
SYSTEMATIC NAME: methyl 4-isothiocyanatobutanoate
MOLECULAR FORMULA: C6H9NO2S
MOLECULAR WEIGHT: 159.20616
SMILES: COC(=O)CCCN=C=S
Structure:
CAS RN: 54469-54-4
CAS Name: 4-(1,3-benzothiazol-2-yl)-2-thiazolamine
OPENEYE Name: 4-(1,3-benzothiazol-2-yl)thiazol-2-amine
IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H7N3S2
MOLECULAR WEIGHT: 233.31268
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CSC(=N3)N
Structure:
CAS RN: 92503-35-0
CAS Name: 2-[3-(2-bromoethyl)-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(2-bromoethyl)-4-oxo-thiazolidin-2-ylidene]acetate
IUPAC Name: ethyl 2-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl 2-[3-(2-bromoethyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C9H12BrNO3S
MOLECULAR WEIGHT: 294.16548
SMILES: CCOC(=O)C=C1N(C(=O)CS1)CCBr
Structure:
CAS RN: 3524-29-6
CAS Name: 2-[(4-propan-2-ylphenyl)methyl]-3-pyrazolamine
OPENEYE Name: 2-[(4-isopropylphenyl)methyl]pyrazol-3-amine
IUPAC Name: 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
SYSTEMATIC NAME: 2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: CC(C)C1=CC=C(C=C1)CN2C(=CC=N2)N
Structure:
CAS RN: 135709-69-2
CAS Name: 2-chloro-N-(2-thiophen-2-ylethyl)acetamide
OPENEYE Name: 2-chloro-N-[2-(2-thienyl)ethyl]acetamide
IUPAC Name: 2-chloro-N-(2-thiophen-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-thiophen-2-ylethyl)ethanamide
MOLECULAR FORMULA: C8H10ClNOS
MOLECULAR WEIGHT: 203.6891
SMILES: C1=CSC(=C1)CCNC(=O)CCl
Structure:
CAS RN: 70093-19-5
CAS Name: 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
OPENEYE Name: 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
IUPAC Name: 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
MOLECULAR FORMULA: C16H11ClFNO
MOLECULAR WEIGHT: 287.716043
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C(=O)CCl
Structure:
CAS RN: 120456-35-1
CAS Name: 1-amino-4,6-dimethyl-5-(methylthio)-2-oxo-3-pyridinecarbonitrile
OPENEYE Name: 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxo-pyridine-3-carbonitrile
IUPAC Name: 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
SYSTEMATIC NAME: 1-azanyl-4,6-dimethyl-5-methylsulfanyl-2-oxidanylidene-pyridine-3-carbonitrile
MOLECULAR FORMULA: C9H11N3OS
MOLECULAR WEIGHT: 209.26814
SMILES: CC1=C(C(=O)N(C(=C1SC)C)N)C#N
Structure:
CAS RN: 90772-87-5
CAS Name: 2-chloro-N-[4-(cyanomethyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-[4-(cyanomethyl)phenyl]acetamide
IUPAC Name: 2-chloro-N-[4-(cyanomethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[4-(cyanomethyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: C1=CC(=CC=C1CC#N)NC(=O)CCl
Structure:
CAS RN: 14333-74-5
CAS Name: 3-methyl-4-methylene-1H-quinazoline-2-thione
OPENEYE Name: 3-methyl-4-methylene-1H-quinazoline-2-thione
IUPAC Name: 3-methyl-4-methylidene-1H-quinazoline-2-thione
SYSTEMATIC NAME: 3-methyl-4-methylidene-1H-quinazoline-2-thione
MOLECULAR FORMULA: C10H10N2S
MOLECULAR WEIGHT: 190.2648
SMILES: CN1C(=C)C2=CC=CC=C2NC1=S
Structure:
CAS RN: 6397-35-9
CAS Name: 2-chloro-N-[2-(phenylmethylthio)phenyl]acetamide
OPENEYE Name: N-(2-benzylsulfanylphenyl)-2-chloro-acetamide
IUPAC Name: N-(2-benzylsulfanylphenyl)-2-chloroacetamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H14ClNOS
MOLECULAR WEIGHT: 291.79576
SMILES: C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)CCl
Structure:
CAS RN: 3524-26-3
CAS Name: 2-(cyclohexylmethyl)-3-pyrazolamine
OPENEYE Name: 2-(cyclohexylmethyl)pyrazol-3-amine
IUPAC Name: 2-(cyclohexylmethyl)pyrazol-3-amine
SYSTEMATIC NAME: 2-(cyclohexylmethyl)pyrazol-3-amine
MOLECULAR FORMULA: C10H17N3
MOLECULAR WEIGHT: 179.26208
SMILES: C1CCC(CC1)CN2C(=CC=N2)N
Structure:
CAS RN: 77053-20-4
CAS Name: 2-(prop-2-enylthio)aniline
OPENEYE Name: 2-allylsulfanylaniline
IUPAC Name: 2-prop-2-enylsulfanylaniline
SYSTEMATIC NAME: 2-prop-2-enylsulfanylaniline
MOLECULAR FORMULA: C9H11NS
MOLECULAR WEIGHT: 165.25534
SMILES: C=CCSC1=CC=CC=C1N
Structure:
CAS RN: 54370-01-3
CAS Name: 1-bromo-2-(chloromethyl)-4,5-dimethoxybenzene
OPENEYE Name: 1-bromo-2-(chloromethyl)-4,5-dimethoxy-benzene
IUPAC Name: 1-bromo-2-(chloromethyl)-4,5-dimethoxybenzene
SYSTEMATIC NAME: 1-bromanyl-2-(chloromethyl)-4,5-dimethoxy-benzene
MOLECULAR FORMULA: C9H10BrClO2
MOLECULAR WEIGHT: 265.5315
SMILES: COC1=C(C=C(C(=C1)CCl)Br)OC
Structure:
CAS RN: 85262-50-6
CAS Name: 2-(2-bromoethoxy)-1,4-dichlorobenzene
OPENEYE Name: 2-(2-bromoethoxy)-1,4-dichloro-benzene
IUPAC Name: 2-(2-bromoethoxy)-1,4-dichlorobenzene
SYSTEMATIC NAME: 2-(2-bromoethyloxy)-1,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C8H7BrCl2O
MOLECULAR WEIGHT: 269.95058
SMILES: C1=CC(=C(C=C1Cl)OCCBr)Cl
Structure:
CAS RN: 79881-25-7
CAS Name: 2-chloro-1-(3-chloro-4-methoxyphenyl)ethanone
OPENEYE Name: 2-chloro-1-(3-chloro-4-methoxy-phenyl)ethanone
IUPAC Name: 2-chloro-1-(3-chloro-4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(3-chloranyl-4-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C9H8Cl2O2
MOLECULAR WEIGHT: 219.06462
SMILES: COC1=C(C=C(C=C1)C(=O)CCl)Cl
Structure:
CAS RN: 13558-79-7
CAS Name: N-[(4-bromoanilino)-oxomethyl]-2-chloroacetamide
OPENEYE Name: N-[(4-bromophenyl)carbamoyl]-2-chloro-acetamide
IUPAC Name: N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
SYSTEMATIC NAME: N-[(4-bromophenyl)carbamoyl]-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H8BrClN2O2
MOLECULAR WEIGHT: 291.52902
SMILES: C1=CC(=CC=C1NC(=O)NC(=O)CCl)Br
Structure:
CAS RN: 13558-78-6
CAS Name: 2-chloro-N-[(4-methoxyanilino)-oxomethyl]acetamide
OPENEYE Name: 2-chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide
IUPAC Name: 2-chloro-N-[(4-methoxyphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[(4-methoxyphenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C10H11ClN2O3
MOLECULAR WEIGHT: 242.65894
SMILES: COC1=CC=C(C=C1)NC(=O)NC(=O)CCl
Structure:
CAS RN: 20751-75-1
CAS Name: 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
OPENEYE Name: 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
IUPAC Name: 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
MOLECULAR FORMULA: C10H10ClNOS
MOLECULAR WEIGHT: 227.7105
SMILES: C1CSC2=CC=CC=C2N1C(=O)CCl
Structure:
CAS RN: 3524-27-4
CAS Name: 2-[[4-(dimethylamino)phenyl]methyl]-3-pyrazolamine
OPENEYE Name: 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
IUPAC Name: 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
SYSTEMATIC NAME: 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: CN(C)C1=CC=C(C=C1)CN2C(=CC=N2)N
Structure:
CAS RN: 31772-42-6
CAS Name: 2-chloro-1-(5-methyl-2-thiophenyl)ethanone
OPENEYE Name: 2-chloro-1-(5-methyl-2-thienyl)ethanone
IUPAC Name: 2-chloro-1-(5-methylthiophen-2-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(5-methylthiophen-2-yl)ethanone
MOLECULAR FORMULA: C7H7ClOS
MOLECULAR WEIGHT: 174.64788
SMILES: CC1=CC=C(S1)C(=O)CCl
Structure:
CAS RN: 890626-54-7
CAS Name: 1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carbaldehyde
IUPAC Name: 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C12H11FN2O
MOLECULAR WEIGHT: 218.226943
SMILES: CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=O
Structure:
CAS RN: 154584-98-2
CAS Name: (2,4,5-trimethoxyphenyl)methanamine
OPENEYE Name: (2,4,5-trimethoxyphenyl)methanamine
IUPAC Name: (2,4,5-trimethoxyphenyl)methanamine
SYSTEMATIC NAME: (2,4,5-trimethoxyphenyl)methanamine
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: COC1=CC(=C(C=C1CN)OC)OC
Structure:
CAS RN: 70028-85-2
CAS Name: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
OPENEYE Name: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
IUPAC Name: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H10F2N2O2
MOLECULAR WEIGHT: 288.248906
SMILES: C1=CC(=CC=C1C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)F)F
Structure:
CAS RN: 405-67-4
CAS Name: N-ethyl-4-fluoroaniline
OPENEYE Name: N-ethyl-4-fluoro-aniline
IUPAC Name: N-ethyl-4-fluoroaniline
SYSTEMATIC NAME: N-ethyl-4-fluoranyl-aniline
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: CCNC1=CC=C(C=C1)F
Structure:
CAS RN: 93284-13-0
CAS Name: 1-(4-methylphenyl)imidazolidine-2,4,5-trione
OPENEYE Name: 1-(p-tolyl)imidazolidine-2,4,5-trione
IUPAC Name: 1-(4-methylphenyl)imidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1-(4-methylphenyl)imidazolidine-2,4,5-trione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=O)NC2=O
Structure:
CAS RN: 75057-62-4
CAS Name: 2-amino-4,5-dibromobenzoic acid
OPENEYE Name: 2-amino-4,5-dibromo-benzoic acid
IUPAC Name: 2-amino-4,5-dibromobenzoic acid
SYSTEMATIC NAME: 2-azanyl-4,5-bis(bromanyl)benzoic acid
MOLECULAR FORMULA: C7H5Br2NO2
MOLECULAR WEIGHT: 294.9281
SMILES: C1=C(C(=CC(=C1Br)Br)N)C(=O)O
Structure:
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