CAS RN: 136994-97-3
CAS Name: 1-(2-nitrophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(2-nitrophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(2-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(2-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H11N3O2S
MOLECULAR WEIGHT: 297.33174
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4[N+](=O)[O-]
Structure:
CAS RN: 14707-60-9
CAS Name: N-[3-aminopropyl(propyl)amino]-N-hydroxynitrous amide
OPENEYE Name: N-[3-aminopropyl(propyl)amino]-N-hydroxy-nitrous amide
IUPAC Name: N-[3-aminopropyl(propyl)amino]-N-hydroxynitrous amide
SYSTEMATIC NAME: N-[3-azanylpropyl(propyl)amino]-N-oxidanyl-nitrous amide
MOLECULAR FORMULA: C6H16N4O2
MOLECULAR WEIGHT: 176.21684
SMILES: CCCN(CCCN)N(N=O)O
Structure:
CAS RN: 116549-34-9
CAS Name: 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxo-butanoate
IUPAC Name: ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
SYSTEMATIC NAME: ethyl 4-[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 913688-45-6
CAS Name: 3-[(1-adamantylamino)methyl]-1-methyl-4-piperidinol
OPENEYE Name: 3-[(1-adamantylamino)methyl]-1-methyl-piperidin-4-ol
IUPAC Name: 3-[(1-adamantylamino)methyl]-1-methylpiperidin-4-ol
SYSTEMATIC NAME: 3-[(1-adamantylamino)methyl]-1-methyl-piperidin-4-ol
MOLECULAR FORMULA: C17H30N2O
MOLECULAR WEIGHT: 278.4329
SMILES: CN1CCC(C(C1)CNC23CC4CC(C2)CC(C4)C3)O
Structure:
CAS RN: 134029-85-9
CAS Name: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
OPENEYE Name: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
IUPAC Name: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SYSTEMATIC NAME: 4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 68494-08-6
CAS Name: benzenecarbothioic acid S-[5-(benzoylthio)-2-sulfanylidene-1,3-dithiol-4-yl] ester
OPENEYE Name: S-(5-benzoylsulfanyl-2-thioxo-1,3-dithiol-4-yl) benzenecarbothioate
IUPAC Name: S-(5-benzoylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl) benzenecarbothioate
SYSTEMATIC NAME: S-[5-(phenylcarbonylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl] benzenecarbothioate
MOLECULAR FORMULA: C17H10O2S5
MOLECULAR WEIGHT: 406.5851
SMILES: C1=CC=C(C=C1)C(=O)SC2=C(SC(=S)S2)SC(=O)C3=CC=CC=C3
Structure:
CAS RN: 3779-27-9
CAS Name: 5-thiophen-2-yl-2-thiophenecarboxaldehyde
OPENEYE Name: 5-(2-thienyl)thiophene-2-carbaldehyde
IUPAC Name: 5-thiophen-2-ylthiophene-2-carbaldehyde
SYSTEMATIC NAME: 5-thiophen-2-ylthiophene-2-carbaldehyde
MOLECULAR FORMULA: C9H6OS2
MOLECULAR WEIGHT: 194.27334
SMILES: C1=CSC(=C1)C2=CC=C(S2)C=O
Structure:
CAS RN: 1222-40-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11N3O6
MOLECULAR WEIGHT: 293.23224
SMILES: C1C2C3C4C1C5(C2(C6C3C4(C5C6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 60565-89-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H70O98S21
MOLECULAR WEIGHT: 2816.3114
SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(C(C7OS(=O)(=O)O)OS(=O)(=O)O)OC8C(OC(O2)C(C8OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(
Structure:
CAS RN: 7678-43-5
CAS Name: (6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
OPENEYE Name: (6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene
IUPAC Name: (6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SYSTEMATIC NAME: (6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: COC1=CC2=C(C=C1)[C@H]3COC4=C([C@H]3O2)C=CC(=C4)OC
Structure:
CAS RN: 26241-51-0
CAS Name: acetic acid [(8R,10R)-17-(3-furanyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ester
OPENEYE Name: [(8R,10R)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
IUPAC Name: [(8R,10R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
SYSTEMATIC NAME: [(8R,10R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-bis(oxidanylidene)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ethanoate
MOLECULAR FORMULA: C28H34O5
MOLECULAR WEIGHT: 450.56656
SMILES: CC(=O)OC1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)C(C4(CC3)C)C5=COC=C5)C)C
Structure:
CAS RN: 5021-45-4
CAS Name: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
OPENEYE Name: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C7H9N3O2
MOLECULAR WEIGHT: 167.16526
SMILES: C1C(NCC2=C1N=CN2)C(=O)O
Structure:
CAS RN: 123958-41-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H8N4O
MOLECULAR WEIGHT: 296.28232
SMILES: C1=CC2=C3C(=C1)OC=C3C4C=CC2C(C4(C#N)C#N)(C#N)C#N
Structure:
CAS RN: 85618-21-9
CAS Name: 2-(hydroxymethyl)-6-(octylthio)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-octylsulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-octylsulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C14H28O5S
MOLECULAR WEIGHT: 308.43412
SMILES: CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O
Structure:
CAS RN: 906439-11-0
CAS Name: 5-(3-ethoxycarbonyl-1-cyclopent-2-enyl)-3-oxohexanoic acid
OPENEYE Name: 5-(3-ethoxycarbonylcyclopent-2-en-1-yl)-3-oxo-hexanoic acid
IUPAC Name: 5-(3-ethoxycarbonylcyclopent-2-en-1-yl)-3-oxohexanoic acid
SYSTEMATIC NAME: 5-(3-ethoxycarbonylcyclopent-2-en-1-yl)-3-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C14H20O5
MOLECULAR WEIGHT: 268.3056
SMILES: CCOC(=O)C1=CC(CC1)C(C)CC(=O)CC(=O)O
Structure:
CAS RN: 118608-95-0
CAS Name: 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
OPENEYE Name: 1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC Name: 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-[2-(4-azido-3-iodanyl-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C19H19F3IN5
MOLECULAR WEIGHT: 501.28734
SMILES: C1CN(CCN1CCC2=CC(=C(C=C2)N=[N+]=[N-])I)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 81591-69-7
CAS Name: 1-(benzenesulfonyl)-3-indolecarboxaldehyde
OPENEYE Name: 1-(benzenesulfonyl)indole-3-carbaldehyde
IUPAC Name: 1-(benzenesulfonyl)indole-3-carbaldehyde
SYSTEMATIC NAME: 1-(phenylsulfonyl)indole-3-carbaldehyde
MOLECULAR FORMULA: C15H11NO3S
MOLECULAR WEIGHT: 285.31774
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O
Structure:
CAS RN: 73709-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36N2O5
MOLECULAR WEIGHT: 504.61724
SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC
Structure:
CAS RN: 72989-13-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36N2O5
MOLECULAR WEIGHT: 504.61724
SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC
Structure:
CAS RN: 2468-21-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: CCC1=CC2C[C@@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
Structure:
CAS RN: 4360-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC[C@@H]1C2CC3C4[C@@]5(C[C@@H](C2C5O)N3C1O)C6=CC=CC=C6N4C
Structure:
CAS RN: 27792-97-8
CAS Name: 5-(1,3-benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-(1,3-benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C20H12O6
MOLECULAR WEIGHT: 348.30568
SMILES: C1C2=C(C=C3C=C4C(=CC3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1
Structure:
CAS RN: 4602-73-7
CAS Name: 6-methoxy-3,4-dihydroisoquinolin-7-ol
OPENEYE Name: 6-methoxy-3,4-dihydroisoquinolin-7-ol
IUPAC Name: 6-methoxy-3,4-dihydroisoquinolin-7-ol
SYSTEMATIC NAME: 6-methoxy-3,4-dihydroisoquinolin-7-ol
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=C(C=C2C=NCCC2=C1)O
Structure:
CAS RN: 906634-71-7
CAS Name: 8,9-dimethoxybenzo[g]isoquinoline-5,10-dione
OPENEYE Name: 8,9-dimethoxybenzo[g]isoquinoline-5,10-dione
IUPAC Name: 8,9-dimethoxybenzo[g]isoquinoline-5,10-dione
SYSTEMATIC NAME: 8,9-dimethoxybenzo[g]isoquinoline-5,10-dione
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=NC=C3)OC
Structure:
CAS RN: 21641-42-9
CAS Name: 5,6-dichloro-2,1,3-benzoselenadiazole
OPENEYE Name: 5,6-dichloro-2,1,3-benzoselenadiazole
IUPAC Name: 5,6-dichloro-2,1,3-benzoselenadiazole
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2,1,3-benzoselenadiazole
MOLECULAR FORMULA: C6H2Cl2N2Se
MOLECULAR WEIGHT: 251.95948
SMILES: C1=C(C(=CC2=N[Se]N=C21)Cl)Cl
Structure:
CAS RN: 12029-81-1
CAS Name: (7S)-6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
OPENEYE Name: (7S)-6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
IUPAC Name: (7S)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
SYSTEMATIC NAME: (7S)-6-methylidene-5-oxidanylidene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
MOLECULAR FORMULA: C22H20O8
MOLECULAR WEIGHT: 412.3894
SMILES: COC1=CC(=CC(=C1OC)OC)C2[C@@H](C(=C)C(=O)C3=CC4=C(C=C23)OCO4)C(=O)O
Structure:
CAS RN: 136994-88-2
CAS Name: 4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
OPENEYE Name: 4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
IUPAC Name: 4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
SYSTEMATIC NAME: 4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzenecarbonitrile
MOLECULAR FORMULA: C16H11N3S
MOLECULAR WEIGHT: 277.34364
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C#N
Structure:
CAS RN: 13736-61-3
CAS Name: 4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
OPENEYE Name: 4-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
IUPAC Name: 4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
SYSTEMATIC NAME: 4-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzenecarbonitrile
MOLECULAR FORMULA: C16H11N3S
MOLECULAR WEIGHT: 277.34364
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C#N
Structure:
CAS RN: 138226-16-1
CAS Name: 1-(2-chloro-5-nitrophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(2-chloro-5-nitro-phenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(2-chloro-5-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H10ClN3O2S
MOLECULAR WEIGHT: 331.7768
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
Structure:
CAS RN: 13860-54-3
CAS Name: 1-(2-chloro-5-nitrophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(2-chloro-5-nitro-phenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(2-chloro-5-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H10ClN3O2S
MOLECULAR WEIGHT: 331.7768
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
Structure:
CAS RN: 136994-92-8
CAS Name: 3-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenol
OPENEYE Name: 3-(1,3-dihydrothiazolo[3,4-a]benzimidazol-1-yl)phenol
IUPAC Name: 3-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenol
SYSTEMATIC NAME: 3-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)phenol
MOLECULAR FORMULA: C15H12N2OS
MOLECULAR WEIGHT: 268.33358
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)O
Structure:
CAS RN: 136994-89-3
CAS Name: 1-(2-fluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(2-fluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(2-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(2-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H11FN2S
MOLECULAR WEIGHT: 270.324643
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4F
Structure:
CAS RN: 153634-53-8
CAS Name: 1-(2-fluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(2-fluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(2-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(2-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H11FN2S
MOLECULAR WEIGHT: 270.324643
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4F
Structure:
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