CAS RN: 885953-93-5
CAS Name: 2-pyridin-4-ylethanimidamide
OPENEYE Name: 2-(4-pyridyl)acetamidine
IUPAC Name: 2-pyridin-4-ylethanimidamide
SYSTEMATIC NAME: 2-pyridin-4-ylethanimidamide
MOLECULAR FORMULA: C7H9N3
MOLECULAR WEIGHT: 135.16646
SMILES: C1=CN=CC=C1CC(=N)N
Structure:
CAS RN: 14172-55-5
CAS Name: 1-(benzenesulfonyl)piperazin-4-ium
OPENEYE Name: 1-(benzenesulfonyl)piperazin-4-ium
IUPAC Name: 1-(benzenesulfonyl)piperazin-4-ium
SYSTEMATIC NAME: 1-(phenylsulfonyl)piperazin-4-ium
MOLECULAR FORMULA: C10H15N2O2S+
MOLECULAR WEIGHT: 227.3033
SMILES: C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 78977-89-6
CAS Name: 2-[2-(4-methylphenyl)-5-oxo-1-cyclopentenyl]acetate
OPENEYE Name: 2-[5-oxo-2-(p-tolyl)cyclopenten-1-yl]acetate
IUPAC Name: 2-[2-(4-methylphenyl)-5-oxocyclopenten-1-yl]acetate
SYSTEMATIC NAME: 2-[2-(4-methylphenyl)-5-oxidanylidene-cyclopenten-1-yl]ethanoate
MOLECULAR FORMULA: C14H13O3-
MOLECULAR WEIGHT: 229.25122
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)CC2)CC(=O)[O-]
Structure:
CAS RN: 23589-02-8
CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]propanoate
OPENEYE Name: 3-[5-(4-chlorophenyl)-2-furyl]propanoate
IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]propanoate
SYSTEMATIC NAME: 3-[5-(4-chlorophenyl)furan-2-yl]propanoate
MOLECULAR FORMULA: C13H10ClO3-
MOLECULAR WEIGHT: 249.6697
SMILES: C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)[O-])Cl
Structure:
CAS RN: 74959-60-7
CAS Name: N-[4-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl]acetamide
OPENEYE Name: N-[4-[(phenylcarbamothioylhydrazono)methyl]phenyl]acetamide
IUPAC Name: N-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H16N4OS
MOLECULAR WEIGHT: 312.38944
SMILES: CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 14840-18-7
CAS Name: 3-(1-benzimidazolyl)propanoate
OPENEYE Name: 3-(benzimidazol-1-yl)propanoate
IUPAC Name: 3-(benzimidazol-1-yl)propanoate
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)propanoate
MOLECULAR FORMULA: C10H9N2O2-
MOLECULAR WEIGHT: 189.19066
SMILES: C1=CC=C2C(=C1)N=CN2CCC(=O)[O-]
Structure:
CAS RN: 85261-20-7
CAS Name: N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)decanamide
OPENEYE Name: N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)decanamide
IUPAC Name: N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)decanamide
SYSTEMATIC NAME: N-methyl-N-[2,3,4,5,6-pentakis(oxidanyl)hexyl]decanamide
MOLECULAR FORMULA: C17H35NO6
MOLECULAR WEIGHT: 349.4629
SMILES: CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
Structure:
CAS RN: 13291-72-0
CAS Name: 6-amino-5-(2-chlorophenyl)-1H-pyrimidine-2-thione
OPENEYE Name: 6-amino-5-(2-chlorophenyl)-1H-pyrimidine-2-thione
IUPAC Name: 6-amino-5-(2-chlorophenyl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-azanyl-5-(2-chlorophenyl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C10H8ClN3S
MOLECULAR WEIGHT: 237.70862
SMILES: C1=CC=C(C(=C1)C2=C(NC(=S)N=C2)N)Cl
Structure:
CAS RN: 6258-06-6
CAS Name: sodium 1-amino-4-bromo-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: sodium 1-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C14H7BrNNaO5S
MOLECULAR WEIGHT: 404.16785
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]
Structure:
CAS RN: 60927-95-9
CAS Name: 1-[(4-chlorophenyl)methyl]-2-imidazolidinone
OPENEYE Name: 1-[(4-chlorophenyl)methyl]imidazolidin-2-one
IUPAC Name: 1-[(4-chlorophenyl)methyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]imidazolidin-2-one
MOLECULAR FORMULA: C10H11ClN2O
MOLECULAR WEIGHT: 210.66014
SMILES: C1CN(C(=O)N1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 58125-02-3
CAS Name: 2-(4-ethoxyphenyl)ethanimidamide
OPENEYE Name: 2-(4-ethoxyphenyl)acetamidine
IUPAC Name: 2-(4-ethoxyphenyl)ethanimidamide
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)ethanimidamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CCOC1=CC=C(C=C1)CC(=N)N
Structure:
CAS RN: 7460-25-5
CAS Name: 1-octadecyl-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-octadecyl-thiourea
IUPAC Name: 1-octadecyl-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-octadecyl-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C22H44N2S
MOLECULAR WEIGHT: 368.66316
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NCC=C
Structure:
CAS RN: 95881-22-4
CAS Name: 2-ethyl-6-methylbenzonitrile
OPENEYE Name: 2-ethyl-6-methyl-benzonitrile
IUPAC Name: 2-ethyl-6-methylbenzonitrile
SYSTEMATIC NAME: 2-ethyl-6-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CCC1=CC=CC(=C1C#N)C
Structure:
CAS RN: 76823-93-3
CAS Name: 2-[4-[(2-cyanoethylthio)methyl]-2-thiazolyl]guanidine
OPENEYE Name: 2-[4-(2-cyanoethylsulfanylmethyl)thiazol-2-yl]guanidine
IUPAC Name: 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
SYSTEMATIC NAME: 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
MOLECULAR FORMULA: C8H11N5S2
MOLECULAR WEIGHT: 241.33644
SMILES: C1=C(N=C(S1)N=C(N)N)CSCCC#N
Structure:
CAS RN: 107818-20-2
CAS Name: 4H-thieno[3,2-b]pyridin-7-one
OPENEYE Name: 4H-thieno[3,2-b]pyridin-7-one
IUPAC Name: 4H-thieno[3,2-b]pyridin-7-one
SYSTEMATIC NAME: 4H-thieno[3,2-b]pyridin-7-one
MOLECULAR FORMULA: C7H5NOS
MOLECULAR WEIGHT: 151.1857
SMILES: C1=CNC2=C(C1=O)SC=C2
Structure:
CAS RN: 7151-61-3
CAS Name: 2-amino-3-chloro-7-nitro-9-fluorenone
OPENEYE Name: 2-amino-3-chloro-7-nitro-fluoren-9-one
IUPAC Name: 2-amino-3-chloro-7-nitrofluoren-9-one
SYSTEMATIC NAME: 2-azanyl-3-chloranyl-7-nitro-fluoren-9-one
MOLECULAR FORMULA: C13H7ClN2O3
MOLECULAR WEIGHT: 274.65928
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=C(C=C23)Cl)N
Structure:
CAS RN: 435342-14-6
CAS Name: 2-hydrazinyl-3-pyridinecarboxylate
OPENEYE Name: 2-hydrazinopyridine-3-carboxylate
IUPAC Name: 2-hydrazinylpyridine-3-carboxylate
SYSTEMATIC NAME: 2-diazanylpyridine-3-carboxylate
MOLECULAR FORMULA: C6H6N3O2-
MOLECULAR WEIGHT: 152.13074
SMILES: C1=CC(=C(N=C1)NN)C(=O)[O-]
Structure:
CAS RN: 72411-49-5
CAS Name: 2-(4-chlorophenyl)-5-phenyl-3-pyrazolamine
OPENEYE Name: 2-(4-chlorophenyl)-5-phenyl-pyrazol-3-amine
IUPAC Name: 2-(4-chlorophenyl)-5-phenylpyrazol-3-amine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C15H12ClN3
MOLECULAR WEIGHT: 269.72888
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 24596-18-7
CAS Name: 4-chloro-2,6-dimethylaniline
OPENEYE Name: 4-chloro-2,6-dimethyl-aniline
IUPAC Name: 4-chloro-2,6-dimethylaniline
SYSTEMATIC NAME: 4-chloranyl-2,6-dimethyl-aniline
MOLECULAR FORMULA: C8H10ClN
MOLECULAR WEIGHT: 155.6247
SMILES: CC1=CC(=CC(=C1N)C)Cl
Structure:
CAS RN: 5769-32-4
CAS Name: 4-chloro-2,6-dimethylaniline
OPENEYE Name: 4-chloro-2,6-dimethyl-aniline
IUPAC Name: 4-chloro-2,6-dimethylaniline
SYSTEMATIC NAME: 4-chloranyl-2,6-dimethyl-aniline
MOLECULAR FORMULA: C8H10ClN
MOLECULAR WEIGHT: 155.6247
SMILES: CC1=CC(=CC(=C1N)C)Cl
Structure:
CAS RN: 28648-87-5
CAS Name: 4-(1H-pyrazol-4-yl)pyrimidine
OPENEYE Name: 4-(1H-pyrazol-4-yl)pyrimidine
IUPAC Name: 4-(1H-pyrazol-4-yl)pyrimidine
SYSTEMATIC NAME: 4-(1H-pyrazol-4-yl)pyrimidine
MOLECULAR FORMULA: C7H6N4
MOLECULAR WEIGHT: 146.14934
SMILES: C1=CN=CN=C1C2=CNN=C2
Structure:
CAS RN: 148256-63-7
CAS Name: 2,5-dibromo-3-dodecylthiophene
OPENEYE Name: 2,5-dibromo-3-dodecyl-thiophene
IUPAC Name: 2,5-dibromo-3-dodecylthiophene
SYSTEMATIC NAME: 2,5-bis(bromanyl)-3-dodecyl-thiophene
MOLECULAR FORMULA: C16H26Br2S
MOLECULAR WEIGHT: 410.25064
SMILES: CCCCCCCCCCCCC1=C(SC(=C1)Br)Br
Structure:
CAS RN: 10252-81-0
CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoate
OPENEYE Name: 4-(diisobutylsulfamoyl)benzoate
IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoate
SYSTEMATIC NAME: 4-[bis(2-methylpropyl)sulfamoyl]benzoate
MOLECULAR FORMULA: C15H22NO4S-
MOLECULAR WEIGHT: 312.40448
SMILES: CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 38864-21-0
CAS Name: N-[2-[[5-acetamido-6-(5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[2-[5-acetamido-6-[3-acetamido-1-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-butoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[2-[5-acetamido-6-(5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[2-[5-acetamido-6-[5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C24H41N3O16
MOLECULAR WEIGHT: 627.59284
SMILES: CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)O)O
Structure:
CAS RN: 65639-43-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: C1CNCC2=CC=CC=C2OCCOC3=CC=CC=C3CNC1
Structure:
CAS RN: 123847-85-8
CAS Name: N-[4-[4-[N-(1-naphthalenyl)anilino]phenyl]phenyl]-N-phenyl-1-naphthalenamine
OPENEYE Name: N-[4-[4-[N-(1-naphthyl)anilino]phenyl]phenyl]-N-phenyl-naphthalen-1-amine
IUPAC Name: N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SYSTEMATIC NAME: N-[4-[4-[naphthalen-1-yl(phenyl)amino]phenyl]phenyl]-N-phenyl-naphthalen-1-amine
MOLECULAR FORMULA: C44H32N2
MOLECULAR WEIGHT: 588.73828
SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
Structure:
CAS RN: 100141-43-3
CAS Name: 3-chloro-N-(2,4,6-trimethylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(2,4,6-trimethylphenyl)propanamide
IUPAC Name: 3-chloro-N-(2,4,6-trimethylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2,4,6-trimethylphenyl)propanamide
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CCCl)C
Structure:
CAS RN: 13754-38-6
CAS Name: phenyl(1-piperazin-4-iumyl)methanone
OPENEYE Name: phenyl(piperazin-4-ium-1-yl)methanone
IUPAC Name: phenyl(piperazin-4-ium-1-yl)methanone
SYSTEMATIC NAME: phenyl(piperazin-4-ium-1-yl)methanone
MOLECULAR FORMULA: C11H15N2O+
MOLECULAR WEIGHT: 191.2496
SMILES: C1CN(CC[NH2+]1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 26328-35-8
CAS Name: 1,2,4-trichloro-5-isocyanatobenzene
OPENEYE Name: 1,2,4-trichloro-5-isocyanato-benzene
IUPAC Name: 1,2,4-trichloro-5-isocyanatobenzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-isocyanato-benzene
MOLECULAR FORMULA: C7H2Cl3NO
MOLECULAR WEIGHT: 222.45588
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N=C=O
Structure:
CAS RN: 41424-36-6
CAS Name: 1,3,5-tribromo-2-methoxy-4-methylbenzene
OPENEYE Name: 1,3,5-tribromo-2-methoxy-4-methyl-benzene
IUPAC Name: 1,3,5-tribromo-2-methoxy-4-methylbenzene
SYSTEMATIC NAME: 1,3,5-tris(bromanyl)-2-methoxy-4-methyl-benzene
MOLECULAR FORMULA: C8H7Br3O
MOLECULAR WEIGHT: 358.85258
SMILES: CC1=C(C(=C(C=C1Br)Br)OC)Br
Structure:
CAS RN: 90649-82-4
CAS Name: 2-[(4-chlorophenyl)methylthio]acetate
OPENEYE Name: 2-[(4-chlorophenyl)methylsulfanyl]acetate
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]acetate
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]ethanoate
MOLECULAR FORMULA: C9H8ClO2S-
MOLECULAR WEIGHT: 215.67662
SMILES: C1=CC(=CC=C1CSCC(=O)[O-])Cl
Structure:
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