CAS RN: 49786-34-7
CAS Name: 1-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
OPENEYE Name: 1-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
IUPAC Name: 1-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CN1C2=C(CCC2)C(=O)N(C1=O)C3=CC=CC=C3
Structure:
CAS RN: 49786-33-6
CAS Name: 3-cyclohexyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
OPENEYE Name: 3-cyclohexyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
IUPAC Name: 3-cyclohexyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-cyclohexyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CN1C2=C(CCC2)C(=O)N(C1=O)C3CCCCC3
Structure:
CAS RN: 49786-32-5
CAS Name: 1,3-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CN1C2=C(CCC2)C(=O)N(C1=O)C
Structure:
CAS RN: 49784-47-6
CAS Name: barium(2+); 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; cobalt(3+); tetrahydrate
OPENEYE Name: dicobaltic; barium(2+); 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; tetrahydrate
IUPAC Name: barium(2+); 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate; cobalt(3+); tetrahydrate
SYSTEMATIC NAME: barium(2+); 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; cobalt(3+); tetrahydrate
MOLECULAR FORMULA: C20H32BaCo2N4O20
MOLECULAR WEIGHT: 903.67628
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Co+3].[Co+3].[Ba+2]
Structure:
CAS RN: 49779-96-6
CAS Name: 2-[2-acetamido-4-(4-chlorophenyl)-5-thiazolyl]acetic acid
OPENEYE Name: 2-[2-acetamido-4-(4-chlorophenyl)thiazol-5-yl]acetic acid
IUPAC Name: 2-[2-acetamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-acetamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C13H11ClN2O3S
MOLECULAR WEIGHT: 310.75604
SMILES: CC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 49773-64-0
CAS Name: 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
OPENEYE Name: 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
IUPAC Name: 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
SYSTEMATIC NAME: 2,5-bis(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
MOLECULAR FORMULA: C18H18N2O4S
MOLECULAR WEIGHT: 358.41152
SMILES: COC1=C(C=C(C=C1)C2=NN=C(S2)C3=CC(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 49755-92-2
CAS Name: (2S)-2-[[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: (2S)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C14H14I3N3O6
MOLECULAR WEIGHT: 700.99087
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H](CO)C(=O)O)I)C(=O)NC)I
Structure:
CAS RN: 49755-90-0
CAS Name: (2S,3R)-2-[[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C15H16I3N3O6
MOLECULAR WEIGHT: 715.01745
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I)O
Structure:
CAS RN: 49755-86-4
CAS Name: 2-[[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]-methylamino]acetic acid
OPENEYE Name: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-methyl-amino]acetic acid
IUPAC Name: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C14H14I3N3O5
MOLECULAR WEIGHT: 684.99147
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(=O)O)I)C(=O)NC)I
Structure:
CAS RN: 49751-48-6
CAS Name: 5-(4-bromobutyl)-2-pyridinecarboxylic acid
OPENEYE Name: 5-(4-bromobutyl)pyridine-2-carboxylic acid
IUPAC Name: 5-(4-bromobutyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-(4-bromanylbutyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H12BrNO2
MOLECULAR WEIGHT: 258.11178
SMILES: C1=CC(=NC=C1CCCCBr)C(=O)O
Structure:
CAS RN: 49751-46-4
CAS Name: 5-(3-chlorobutyl)-2-pyridinecarboxylic acid
OPENEYE Name: 5-(3-chlorobutyl)pyridine-2-carboxylic acid
IUPAC Name: 5-(3-chlorobutyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-(3-chloranylbutyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: CC(CCC1=CN=C(C=C1)C(=O)O)Cl
Structure:
CAS RN: 49751-44-2
CAS Name: 5-(5-chloropentyl)-2-pyridinecarboxylic acid
OPENEYE Name: 5-(5-chloropentyl)pyridine-2-carboxylic acid
IUPAC Name: 5-(5-chloropentyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-(5-chloranylpentyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C11H14ClNO2
MOLECULAR WEIGHT: 227.68736
SMILES: C1=CC(=NC=C1CCCCCCl)C(=O)O
Structure:
CAS RN: 49747-55-9
CAS Name: 1,3-diphenyl-3-(4-phenyl-1-piperazinyl)-1-propanone
OPENEYE Name: 1,3-diphenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
IUPAC Name: 1,3-diphenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 1,3-diphenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C25H26N2O
MOLECULAR WEIGHT: 370.48674
SMILES: C1CN(CCN1C2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 49720-83-4
CAS Name: antimony(3+); 2,3-dioxidobutanedioate; 2-ethoxyaniline; hydron
OPENEYE Name: antimony(3+); 2,3-dioxidobutanedioate; 2-ethoxyaniline; hydron
IUPAC Name: antimony(3+); 2,3-dioxidobutanedioate; 2-ethoxyaniline; hydron
SYSTEMATIC NAME: antimony(3+); 2,3-bis(oxidanidyl)butanedioate; 2-ethoxyaniline; hydron
MOLECULAR FORMULA: C24H28N2O14Sb2
MOLECULAR WEIGHT: 812.00412
SMILES: [H+].[H+].CCOC1=CC=CC=C1N.CCOC1=CC=CC=C1N.C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Sb+3].[Sb+3]
Structure:
CAS RN: 49711-82-2
CAS Name: acetic acid [4-[2-oxo-5-(prop-2-ynoxymethyl)-3-oxazolidinyl]phenyl] ester
OPENEYE Name: [4-[2-oxo-5-(prop-2-ynoxymethyl)oxazolidin-3-yl]phenyl] acetate
IUPAC Name: [4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]phenyl] acetate
SYSTEMATIC NAME: [4-[2-oxidanylidene-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]phenyl] ethanoate
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: CC(=O)OC1=CC=C(C=C1)N2CC(OC2=O)COCC#C
Structure:
CAS RN: 49701-98-6
CAS Name: 2-[2-(2-pyridinyl)-1,3-benzothiazol-5-yl]acetic acid
OPENEYE Name: 2-[2-(2-pyridyl)-1,3-benzothiazol-5-yl]acetic acid
IUPAC Name: 2-(2-pyridin-2-yl-1,3-benzothiazol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(2-pyridin-2-yl-1,3-benzothiazol-5-yl)ethanoic acid
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1=CC=NC(=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O
Structure:
CAS RN: 49679-15-4
CAS Name: N-carbamoylcarbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-carbamoylcarbamate
IUPAC Name: benzyl N-carbamoylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-aminocarbonylcarbamate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1=CC=C(C=C1)COC(=O)NC(=O)N
Structure:
CAS RN: 49672-23-3
CAS Name: 2-(3-chlorophenyl)-4,5-dihydrothiazole
OPENEYE Name: 2-(3-chlorophenyl)-4,5-dihydrothiazole
IUPAC Name: 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C9H8ClNS
MOLECULAR WEIGHT: 197.68452
SMILES: C1CSC(=N1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 49672-22-2
CAS Name: 2-(2-chlorophenyl)-4,5-dihydrothiazole
OPENEYE Name: 2-(2-chlorophenyl)-4,5-dihydrothiazole
IUPAC Name: 2-(2-chlorophenyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C9H8ClNS
MOLECULAR WEIGHT: 197.68452
SMILES: C1CSC(=N1)C2=CC=CC=C2Cl
Structure:
CAS RN: 49662-05-7
CAS Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
OPENEYE Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol; sulfuric acid
IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-3-[(2S,3R,4R,5S,6R)-3-azanyl-4,5-bis(oxidanyl)-6-[(1R)-1-oxidanylethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
MOLECULAR FORMULA: C20H44N4O18S2
MOLECULAR WEIGHT: 692.70936
SMILES: C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O
Structure:
CAS RN: 49646-27-7
CAS Name: 1-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-1-propanone
OPENEYE Name: 1-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
IUPAC Name: 1-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[3-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one
MOLECULAR FORMULA: C23H30N2O4
MOLECULAR WEIGHT: 398.4953
SMILES: CCC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
Structure:
CAS RN: 49646-24-4
CAS Name: 1-[1-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]-2-naphthalenyl]-1-propanone dihydrochloride
OPENEYE Name: 1-[1-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]-2-naphthyl]propan-1-one dihydrochloride
IUPAC Name: 1-[1-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]naphthalen-2-yl]propan-1-one dihydrochloride
SYSTEMATIC NAME: 1-[1-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]naphthalen-2-yl]propan-1-one dihydrochloride
MOLECULAR FORMULA: C28H36Cl2N2O3
MOLECULAR WEIGHT: 519.50304
SMILES: CCC(=O)C1=C(C2=CC=CC=C2C=C1)OCC(CN3CCN(CC3)C4=CC(=C(C=C4)C)C)O.Cl.Cl
Structure:
CAS RN: 49646-21-1
CAS Name: 1-[2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]ethanone dihydrochloride
OPENEYE Name: 1-[4-benzyloxy-2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]ethanone dihydrochloride
IUPAC Name: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]ethanone dihydrochloride
SYSTEMATIC NAME: 1-[2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-phenylmethoxy-phenyl]ethanone dihydrochloride
MOLECULAR FORMULA: C30H38Cl2N2O4
MOLECULAR WEIGHT: 561.53972
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=C(C=CC(=C3)OCC4=CC=CC=C4)C(=O)C)O)C.Cl.Cl
Structure:
CAS RN: 49646-20-0
CAS Name: 1-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-[2-(1-hydroxyethyl)phenoxy]-2-propanol dihydrochloride
OPENEYE Name: 1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-[2-(1-hydroxyethyl)phenoxy]propan-2-ol dihydrochloride
IUPAC Name: 1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-[2-(1-hydroxyethyl)phenoxy]propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-3-[2-(1-hydroxyethyl)phenoxy]propan-2-ol dihydrochloride
MOLECULAR FORMULA: C23H34Cl2N2O3
MOLECULAR WEIGHT: 457.43366
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(C)O)O)C.Cl.Cl
Structure:
CAS RN: 49646-18-6
CAS Name: [2-[3-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-phenylmethanone
OPENEYE Name: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone
IUPAC Name: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone
MOLECULAR FORMULA: C28H32N2O3
MOLECULAR WEIGHT: 444.56528
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)C4=CC=CC=C4)O)C
Structure:
CAS RN: 49646-10-8
CAS Name: 3-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]benzonitrile
OPENEYE Name: 3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
IUPAC Name: 3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
SYSTEMATIC NAME: 3-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C20H23N3O2
MOLECULAR WEIGHT: 337.41552
SMILES: C1CN(CCN1CC(COC2=CC=CC(=C2)C#N)O)C3=CC=CC=C3
Structure:
CAS RN: 49646-06-2
CAS Name: 1-[3-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-1-propanone
OPENEYE Name: 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
IUPAC Name: 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[3-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
Structure:
CAS RN: 49646-02-8
CAS Name: 1-[2-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-1-propanone dihydrochloride
OPENEYE Name: 1-[2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride
IUPAC Name: 1-[2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride
SYSTEMATIC NAME: 1-[2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride
MOLECULAR FORMULA: C22H30Cl2N2O3
MOLECULAR WEIGHT: 441.3912
SMILES: CCC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl.Cl
Structure:
CAS RN: 49615-25-0
CAS Name: 4,5,6,7-tetrachloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetrachloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetrachloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1H-benzimidazole
MOLECULAR FORMULA: C9HCl4F5N2
MOLECULAR WEIGHT: 373.921656
SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N=C(N2)C(C(F)(F)F)(F)F
Structure:
CAS RN: 49593-93-3
CAS Name: 1-octoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
OPENEYE Name: 1-octoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
IUPAC Name: 1-octoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
SYSTEMATIC NAME: 1-octoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
MOLECULAR FORMULA: C12H23O2P
MOLECULAR WEIGHT: 230.283581
SMILES: CCCCCCCCOP1(=O)CCC=C1
Structure:
CAS RN: 49579-55-7
CAS Name: 7-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4-quinazolinethione
OPENEYE Name: 7-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
IUPAC Name: 7-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
SYSTEMATIC NAME: 7-fluoranyl-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
MOLECULAR FORMULA: C16H10F4N2S
MOLECULAR WEIGHT: 338.322613
SMILES: CC1=NC2=C(C=CC(=C2)F)C(=S)N1C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 49579-54-6
CAS Name: 7-fluoro-2-methyl-3-phenyl-4-quinazolinethione
OPENEYE Name: 7-fluoro-2-methyl-3-phenyl-quinazoline-4-thione
IUPAC Name: 7-fluoro-2-methyl-3-phenylquinazoline-4-thione
SYSTEMATIC NAME: 7-fluoranyl-2-methyl-3-phenyl-quinazoline-4-thione
MOLECULAR FORMULA: C15H11FN2S
MOLECULAR WEIGHT: 270.324643
SMILES: CC1=NC2=C(C=CC(=C2)F)C(=S)N1C3=CC=CC=C3
Structure:
CAS RN: 49579-53-5
CAS Name: 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]-4-quinazolinethione
OPENEYE Name: 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
IUPAC Name: 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
SYSTEMATIC NAME: 2-ethyl-6-fluoranyl-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
MOLECULAR FORMULA: C17H12F4N2S
MOLECULAR WEIGHT: 352.349193
SMILES: CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 49579-52-4
CAS Name: 3-(4-ethoxyphenyl)-2-ethyl-6-fluoro-4-quinazolinethione
OPENEYE Name: 3-(4-ethoxyphenyl)-2-ethyl-6-fluoro-quinazoline-4-thione
IUPAC Name: 3-(4-ethoxyphenyl)-2-ethyl-6-fluoroquinazoline-4-thione
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-2-ethyl-6-fluoranyl-quinazoline-4-thione
MOLECULAR FORMULA: C18H17FN2OS
MOLECULAR WEIGHT: 328.403783
SMILES: CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=C(C=C3)OCC
Structure:
CAS RN: 49579-51-3
CAS Name: 2-ethyl-6-fluoro-3-(3-methylphenyl)-4-quinazolinethione
OPENEYE Name: 2-ethyl-6-fluoro-3-(m-tolyl)quinazoline-4-thione
IUPAC Name: 2-ethyl-6-fluoro-3-(3-methylphenyl)quinazoline-4-thione
SYSTEMATIC NAME: 2-ethyl-6-fluoranyl-3-(3-methylphenyl)quinazoline-4-thione
MOLECULAR FORMULA: C17H15FN2S
MOLECULAR WEIGHT: 298.377803
SMILES: CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC(=C3)C
Structure:
CAS RN: 49579-50-2
CAS Name: 6-fluoro-2-methyl-3-(4-nitrophenyl)-4-quinazolinethione
OPENEYE Name: 6-fluoro-2-methyl-3-(4-nitrophenyl)quinazoline-4-thione
IUPAC Name: 6-fluoro-2-methyl-3-(4-nitrophenyl)quinazoline-4-thione
SYSTEMATIC NAME: 6-fluoranyl-2-methyl-3-(4-nitrophenyl)quinazoline-4-thione
MOLECULAR FORMULA: C15H10FN3O2S
MOLECULAR WEIGHT: 315.322203
SMILES: CC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
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