CAS RN: 122628-50-6
CAS Name: disodium 2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
OPENEYE Name: disodium 2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
IUPAC Name: disodium 2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
SYSTEMATIC NAME: disodium 2-carboxy-4,5-bis(oxidanylidene)-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
MOLECULAR FORMULA: C14H4N2Na2O8
MOLECULAR WEIGHT: 374.1697
SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 122532-16-5
CAS Name: N-(2-methylphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
OPENEYE Name: N-(o-tolylimino)-N'-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamidine
IUPAC Name: N-(2-methylphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
SYSTEMATIC NAME: N-(2-methylphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
MOLECULAR FORMULA: C22H17N5OS
MOLECULAR WEIGHT: 399.46828
SMILES: CC1=CC=CC=C1N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4
Structure:
CAS RN: 122518-84-7
CAS Name: 1-[1-[(2-chlorophenyl)methyl]-3-pyrrolyl]-2-[di(butan-2-yl)amino]ethanol
OPENEYE Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-(disec-butylamino)ethanol
IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
SYSTEMATIC NAME: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
MOLECULAR FORMULA: C21H31ClN2O
MOLECULAR WEIGHT: 362.93664
SMILES: CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC
Structure:
CAS RN: 122518-85-8
CAS Name: 1-[1-[(2-chlorophenyl)methyl]-3-pyrrolyl]-2-[di(butan-2-yl)amino]ethanol
OPENEYE Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-(disec-butylamino)ethanol
IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
SYSTEMATIC NAME: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
MOLECULAR FORMULA: C21H31ClN2O
MOLECULAR WEIGHT: 362.93664
SMILES: CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC
Structure:
CAS RN: 122518-86-9
CAS Name: 1-[1-[(2-chlorophenyl)methyl]-3-pyrrolyl]-2-[di(butan-2-yl)amino]ethanol
OPENEYE Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-(disec-butylamino)ethanol
IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
SYSTEMATIC NAME: 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-[di(butan-2-yl)amino]ethanol
MOLECULAR FORMULA: C21H31ClN2O
MOLECULAR WEIGHT: 362.93664
SMILES: CCC(C)N(CC(C1=CN(C=C1)CC2=CC=CC=C2Cl)O)C(C)CC
Structure:
CAS RN: 122504-22-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32N2O8
MOLECULAR WEIGHT: 500.54088
SMILES: CC(C)CC(C(=O)O)N1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)C(CC(C)C)C(=O)O
Structure:
CAS RN: 122485-08-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: C1C(=O)N2CC3=CC=CC=C3N4C=CC=C4C2C(=O)N1
Structure:
CAS RN: 122485-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CN1
Structure:
CAS RN: 122439-97-8
CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]-2-methoxyphenol hydrobromide
OPENEYE Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-phenol hydrobromide
IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol hydrobromide
SYSTEMATIC NAME: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-methoxy-phenol hydrobromide
MOLECULAR FORMULA: C12H15BrN4O2
MOLECULAR WEIGHT: 327.1771
SMILES: COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)O.Br
Structure:
CAS RN: 122438-10-2
CAS Name: [3-(4-morpholinyl)-3H-benzo[f][1]benzopyran-2-yl]-phenylmethanone
OPENEYE Name: (3-morpholino-3H-benzo[f]chromen-2-yl)-phenyl-methanone
IUPAC Name: (3-morpholin-4-yl-3H-benzo[f]chromen-2-yl)-phenylmethanone
SYSTEMATIC NAME: (3-morpholin-4-yl-3H-benzo[f]chromen-2-yl)-phenyl-methanone
MOLECULAR FORMULA: C24H21NO3
MOLECULAR WEIGHT: 371.42844
SMILES: C1COCCN1C2C(=CC3=C(O2)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
Structure:
CAS RN: 122438-09-9
CAS Name: [6,8-dibromo-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (6,8-dibromo-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (6,8-dibromo-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: [6,8-bis(bromanyl)-2-morpholin-4-yl-2H-chromen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C20H17Br2NO3
MOLECULAR WEIGHT: 479.16188
SMILES: C1COCCN1C2C(=CC3=CC(=CC(=C3O2)Br)Br)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-08-8
CAS Name: [6-bromo-8-methoxy-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (6-bromo-8-methoxy-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (6-bromo-8-methoxy-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (6-bromanyl-8-methoxy-2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C21H20BrNO4
MOLECULAR WEIGHT: 430.2918
SMILES: COC1=C2C(=CC(=C1)Br)C=C(C(O2)N3CCOCC3)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-07-7
CAS Name: [8-methoxy-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (8-methoxy-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (8-methoxy-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (8-methoxy-2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: COC1=CC=CC2=C1OC(C(=C2)C(=O)C3=CC=CC=C3)N4CCOCC4
Structure:
CAS RN: 122438-06-6
CAS Name: [2-(4-morpholinyl)-6-nitro-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (2-morpholino-6-nitro-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-05-5
CAS Name: [6-fluoro-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (6-fluoro-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (6-fluoro-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (6-fluoranyl-2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H18FNO3
MOLECULAR WEIGHT: 339.360223
SMILES: C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)F)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-04-4
CAS Name: [6-bromo-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (6-bromo-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (6-bromo-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (6-bromanyl-2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H18BrNO3
MOLECULAR WEIGHT: 400.26582
SMILES: C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)Br)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-03-3
CAS Name: [6-chloro-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (6-chloro-2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (6-chloro-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (6-chloranyl-2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H18ClNO3
MOLECULAR WEIGHT: 355.81482
SMILES: C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122438-02-2
CAS Name: 1-[6-chloro-2-(4-morpholinyl)-2H-1-benzopyran-3-yl]ethanone
OPENEYE Name: 1-(6-chloro-2-morpholino-2H-chromen-3-yl)ethanone
IUPAC Name: 1-(6-chloro-2-morpholin-4-yl-2H-chromen-3-yl)ethanone
SYSTEMATIC NAME: 1-(6-chloranyl-2-morpholin-4-yl-2H-chromen-3-yl)ethanone
MOLECULAR FORMULA: C15H16ClNO3
MOLECULAR WEIGHT: 293.74544
SMILES: CC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1N3CCOCC3
Structure:
CAS RN: 122438-01-1
CAS Name: [2-(4-morpholinyl)-2H-1-benzopyran-3-yl]-phenylmethanone
OPENEYE Name: (2-morpholino-2H-chromen-3-yl)-phenyl-methanone
IUPAC Name: (2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (2-morpholin-4-yl-2H-chromen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: C1COCCN1C2C(=CC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 122413-81-4
CAS Name: disodium 1-(sulfonatothio)-2-[2-(sulfonatothio)ethylamino]ethane
OPENEYE Name: disodium 1-sulfonatosulfanyl-2-(2-sulfonatosulfanylethylamino)ethane
IUPAC Name: disodium 1-sulfonatosulfanyl-2-(2-sulfonatosulfanylethylamino)ethane
SYSTEMATIC NAME: disodium 1-sulfonatosulfanyl-2-(2-sulfonatosulfanylethylamino)ethane
MOLECULAR FORMULA: C4H9NNa2O6S4
MOLECULAR WEIGHT: 341.3569
SMILES: C(CSS(=O)(=O)[O-])NCCSS(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 122413-80-3
CAS Name: [2-[2-(phosphonothio)ethylamino]ethylthio]phosphonic acid
OPENEYE Name: 2-(2-phosphonosulfanylethylamino)ethylsulfanylphosphonic acid
IUPAC Name: 2-(2-phosphonosulfanylethylamino)ethylsulfanylphosphonic acid
SYSTEMATIC NAME: 2-(2-phosphonosulfanylethylamino)ethylsulfanylphosphonic acid
MOLECULAR FORMULA: C4H13NO6P2S2
MOLECULAR WEIGHT: 297.226642
SMILES: C(CSP(=O)(O)O)NCCSP(=O)(O)O
Structure:
CAS RN: 122413-76-7
CAS Name: [2,5-dimethyl-4-[(trimethylammonio)methyl]phenyl]methyl-trimethylammonium dichloride
OPENEYE Name: [2,5-dimethyl-4-[(trimethylammonio)methyl]phenyl]methyl-trimethyl-ammonium dichloride
IUPAC Name: [2,5-dimethyl-4-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium dichloride
SYSTEMATIC NAME: [2,5-dimethyl-4-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethyl-azanium dichloride
MOLECULAR FORMULA: C16H30Cl2N2
MOLECULAR WEIGHT: 321.3288
SMILES: CC1=CC(=C(C=C1C[N+](C)(C)C)C)C[N+](C)(C)C.[Cl-].[Cl-]
Structure:
CAS RN: 122364-71-0
CAS Name: 4-(dimethylamino)-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
OPENEYE Name: 4-(dimethylamino)-N-(4-methoxyphenyl)imino-N'-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamidine
IUPAC Name: 4-(dimethylamino)-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
MOLECULAR FORMULA: C24H22N6O2S
MOLECULAR WEIGHT: 458.53548
SMILES: CN(C)C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)OC
Structure:
CAS RN: 122352-07-2
CAS Name: N-(4-chlorophenyl)imino-2-methoxy-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
OPENEYE Name: N-(4-chlorophenyl)imino-2-methoxy-N'-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamidine
IUPAC Name: N-(4-chlorophenyl)imino-2-methoxy-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
SYSTEMATIC NAME: N-(4-chlorophenyl)imino-2-methoxy-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
MOLECULAR FORMULA: C22H16ClN5O2S
MOLECULAR WEIGHT: 449.91274
SMILES: COC1=CC=CC=C1C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 122352-06-1
CAS Name: 2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
OPENEYE Name: 2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamidine
IUPAC Name: 2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
SYSTEMATIC NAME: 2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
MOLECULAR FORMULA: C23H19N5O3S
MOLECULAR WEIGHT: 445.49366
SMILES: COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4OC
Structure:
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