CAS RN: 153482-89-4
CAS Name: (3R,7aR)-3-(phenylmethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
OPENEYE Name: (3R,7aR)-3-benzyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
IUPAC Name: (3R,7aR)-3-benzyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
SYSTEMATIC NAME: (3R,7aR)-3-(phenylmethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: C1CC(=O)N2[C@H]1NC(=O)[C@H]2CC3=CC=CC=C3
Structure:
CAS RN: 153321-66-5
CAS Name: N,N-diethyl-2-[[(1R,3S,4R,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[(1R,3R,4S,6R)-4,7,7-trimethylnorcaran-3-yl]oxy-ethanamine
IUPAC Name: N,N-diethyl-2-[[(1R,3S,4R,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[[(1R,3S,4R,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H39NO8
MOLECULAR WEIGHT: 445.54696
SMILES: CCN(CC)CCO[C@@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153260-35-6
CAS Name: 2-[1-[[(2-chlorophenyl)-oxomethyl]amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid anilinomethyl ester
OPENEYE Name: anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-5-yl]propanoate
IUPAC Name: anilinomethyl 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate
SYSTEMATIC NAME: phenylazanylmethyl 2-[1-[(2-chlorophenyl)carbonylamino]-4,6-bis(oxidanylidene)-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoate
MOLECULAR FORMULA: C27H23ClN4O5S
MOLECULAR WEIGHT: 551.01332
SMILES: CC(C1C(=O)N(C(=S)N(C1=O)NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)OCNC4=CC=CC=C4
Structure:
CAS RN: 153260-30-1
CAS Name: 2-[1-[[(2-chlorophenyl)-oxomethyl]amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid
OPENEYE Name: 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-5-yl]propanoic acid
IUPAC Name: 2-[1-[(2-chlorobenzoyl)amino]-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid
SYSTEMATIC NAME: 2-[1-[(2-chlorophenyl)carbonylamino]-4,6-bis(oxidanylidene)-3-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]propanoic acid
MOLECULAR FORMULA: C20H16ClN3O5S
MOLECULAR WEIGHT: 445.87614
SMILES: CC(C1C(=O)N(C(=S)N(C1=O)NC(=O)C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 153222-90-3
CAS Name: 2-[(1S,2R,4S,5S)-4-[2-(diethylamino)ethoxy]-5-methyl-2-bicyclo[3.1.0]hexanyl]-2-propanol; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; 2-[(1S,2R,4S,5S)-4-[2-(diethylamino)ethoxy]-5-methyl-2-bicyclo[3.1.0]hexanyl]propan-2-ol
IUPAC Name: 2-[(1S,2R,4S,5S)-4-[2-(diethylamino)ethoxy]-5-methyl-2-bicyclo[3.1.0]hexanyl]propan-2-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-[(1S,2R,4S,5S)-4-[2-(diethylamino)ethoxy]-5-methyl-2-bicyclo[3.1.0]hexanyl]propan-2-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H39NO9
MOLECULAR WEIGHT: 461.54636
SMILES: CCN(CC)CCO[C@H]1C[C@H]([C@H]2[C@@]1(C2)C)C(C)(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153222-89-0
CAS Name: (1R,3R,4R,6S)-3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-4-bicyclo[4.1.0]heptanol; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; (1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethyl-norcaran-3-ol
IUPAC Name: (1R,3R,4R,6S)-3-[2-(diethylamino)ethoxy]-4,7,7-trimethylbicyclo[4.1.0]heptan-4-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: (1R,3R,4R,6S)-3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-bicyclo[4.1.0]heptan-4-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H39NO9
MOLECULAR WEIGHT: 461.54636
SMILES: CCN(CC)CCO[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@@]1(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153222-88-9
CAS Name: N,N-diethyl-2-[[(1R,3S,4S,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[(1R,3S,4S,6R)-4,7,7-trimethylnorcaran-3-yl]oxy-ethanamine
IUPAC Name: N,N-diethyl-2-[[(1R,3S,4S,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[[(1R,3S,4S,6R)-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl]oxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H39NO8
MOLECULAR WEIGHT: 445.54696
SMILES: CCN(CC)CCO[C@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153222-87-8
CAS Name: N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine
IUPAC Name: N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[[(1S,3R,4S,5S)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl]oxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H39NO9
MOLECULAR WEIGHT: 461.54636
SMILES: CCN(CC)CCO[C@@H]1C[C@H]2C[C@@H]([C@H]1C)OC2(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153175-83-8
CAS Name: (1S,3R,5Z,6R)-5-[2-(diethylamino)ethoxymethylidene]-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanone; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; (1R,2Z,4R,6S)-2-[2-(diethylamino)ethoxymethylene]-4,7,7-trimethyl-norcaran-3-one
IUPAC Name: (1S,3R,5Z,6R)-5-[2-(diethylamino)ethoxymethylidene]-3,7,7-trimethylbicyclo[4.1.0]heptan-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: (1S,3R,5Z,6R)-5-[2-(diethylamino)ethoxymethylidene]-3,7,7-trimethyl-bicyclo[4.1.0]heptan-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C23H37NO9
MOLECULAR WEIGHT: 471.54118
SMILES: CCN(CC)CCO/C=C\1/[C@@H]2[C@@H](C2(C)C)C[C@H](C1=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153175-82-7
CAS Name: 3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol hydrochloride
OPENEYE Name: 3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol hydrochloride
IUPAC Name: 3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol hydrochloride
SYSTEMATIC NAME: 3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol hydrochloride
MOLECULAR FORMULA: C16H32ClNO3
MOLECULAR WEIGHT: 321.88318
SMILES: CCN(CC)CCOC1CC2CC(C1(C)O)OC2(C)C.Cl
Structure:
CAS RN: 153175-81-6
CAS Name: 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]methoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]methoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]methoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]methoxy]-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C21H37NO8
MOLECULAR WEIGHT: 431.52038
SMILES: CCN(CC)CCOCC1C[C@@H]2[C@H](C1)C2(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153175-79-2
CAS Name: N,N-diethyl-2-[[(1R,4R,5S)-5-methyl-2-propan-2-ylidene-4-bicyclo[3.1.0]hexanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[[(1R,4R,5S)-2-isopropylidene-5-methyl-4-bicyclo[3.1.0]hexanyl]oxy]ethanamine
IUPAC Name: N,N-diethyl-2-[[(1R,4R,5S)-5-methyl-2-propan-2-ylidene-4-bicyclo[3.1.0]hexanyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[[(1R,4R,5S)-5-methyl-2-propan-2-ylidene-4-bicyclo[3.1.0]hexanyl]oxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H37NO8
MOLECULAR WEIGHT: 443.53108
SMILES: CCN(CC)CCO[C@@H]1CC(=C(C)C)[C@@H]2[C@@]1(C2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 153004-53-6
CAS Name: 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
OPENEYE Name: 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
IUPAC Name: 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CN1CCC(C2=CC=CC=C21)C3=CN=CNC3=O
Structure:
CAS RN: 153004-52-5
CAS Name: 5-(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1H-pyrimidin-6-one
OPENEYE Name: 5-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
IUPAC Name: 5-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C13H12N2O3S
MOLECULAR WEIGHT: 276.31098
SMILES: C1CS(=O)(=O)C2=CC=CC=C2C1C3=CN=CNC3=O
Structure:
CAS RN: 153004-51-4
CAS Name: 5-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1H-pyrimidin-6-one
OPENEYE Name: 5-thiochroman-4-yl-1H-pyrimidin-6-one
IUPAC Name: 5-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: C1CSC2=CC=CC=C2C1C3=CN=CNC3=O
Structure:
CAS RN: 153004-50-3
CAS Name: 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
OPENEYE Name: 4-(6-oxo-1H-pyrimidin-5-yl)chromane-2-carboxylic acid
IUPAC Name: 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SYSTEMATIC NAME: 4-(6-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1C(C2=CC=CC=C2OC1C(=O)O)C3=CN=CNC3=O
Structure:
CAS RN: 153004-49-0
CAS Name: 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(6-oxo-1H-pyrimidin-5-yl)chromane-2-carboxylate
IUPAC Name: ethyl 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(6-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylate
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: CCOC(=O)C1CC(C2=CC=CC=C2O1)C3=CN=CNC3=O
Structure:
CAS RN: 153004-48-9
CAS Name: 5-(4-morpholinyl)-1H-pyrimidin-6-one
OPENEYE Name: 5-morpholino-1H-pyrimidin-6-one
IUPAC Name: 5-morpholin-4-yl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-morpholin-4-yl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C8H11N3O2
MOLECULAR WEIGHT: 181.19184
SMILES: C1COCCN1C2=CN=CNC2=O
Structure:
CAS RN: 153004-47-8
CAS Name: 5-(4-methyl-1-piperazinyl)-1H-pyrimidin-6-one
OPENEYE Name: 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
IUPAC Name: 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H14N4O
MOLECULAR WEIGHT: 194.23366
SMILES: CN1CCN(CC1)C2=CN=CNC2=O
Structure:
CAS RN: 153004-46-7
CAS Name: 5-(2-oxanyl)-1H-pyrimidin-6-one
OPENEYE Name: 5-tetrahydropyran-2-yl-1H-pyrimidin-6-one
IUPAC Name: 5-(oxan-2-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(oxan-2-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1CCOC(C1)C2=CN=CNC2=O
Structure:
CAS RN: 153004-45-6
CAS Name: 5-(2-oxolanyl)-1H-pyrimidin-6-one
OPENEYE Name: 5-tetrahydrofuran-2-yl-1H-pyrimidin-6-one
IUPAC Name: 5-(oxolan-2-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(oxolan-2-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1CC(OC1)C2=CN=CNC2=O
Structure:
CAS RN: 153004-44-5
CAS Name: 5-(1-methyl-2-pyrrolyl)-1H-pyrimidin-6-one
OPENEYE Name: 5-(1-methylpyrrol-2-yl)-1H-pyrimidin-6-one
IUPAC Name: 5-(1-methylpyrrol-2-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(1-methylpyrrol-2-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CN1C=CC=C1C2=CN=CNC2=O
Structure:
CAS RN: 152819-40-4
CAS Name: 3-acetamidopropanoic acid 2-dimethoxyphosphorylethyl ester
OPENEYE Name: 2-dimethoxyphosphorylethyl 3-acetamidopropanoate
IUPAC Name: 2-dimethoxyphosphorylethyl 3-acetamidopropanoate
SYSTEMATIC NAME: 2-dimethoxyphosphorylethyl 3-acetamidopropanoate
MOLECULAR FORMULA: C9H18NO6P
MOLECULAR WEIGHT: 267.216081
SMILES: CC(=O)NCCC(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 152819-39-1
CAS Name: 2-benzamidoacetic acid 2-dimethoxyphosphorylethyl ester
OPENEYE Name: 2-dimethoxyphosphorylethyl 2-benzamidoacetate
IUPAC Name: 2-dimethoxyphosphorylethyl 2-benzamidoacetate
SYSTEMATIC NAME: 2-dimethoxyphosphorylethyl 2-benzamidoethanoate
MOLECULAR FORMULA: C13H18NO6P
MOLECULAR WEIGHT: 315.258881
SMILES: COP(=O)(CCOC(=O)CNC(=O)C1=CC=CC=C1)OC
Structure:
CAS RN: 152819-37-9
CAS Name: (2S)-2-acetamidopentanedioic acid bis(2-dimethoxyphosphorylethyl) ester
OPENEYE Name: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidopentanedioate
IUPAC Name: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidopentanedioate
SYSTEMATIC NAME: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidopentanedioate
MOLECULAR FORMULA: C15H29NO11P2
MOLECULAR WEIGHT: 461.338382
SMILES: CC(=O)N[C@@H](CCC(=O)OCCP(=O)(OC)OC)C(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 152819-36-8
CAS Name: (2S)-2-acetamidobutanedioic acid bis(2-dimethoxyphosphorylethyl) ester
OPENEYE Name: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidobutanedioate
IUPAC Name: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidobutanedioate
SYSTEMATIC NAME: bis(2-dimethoxyphosphorylethyl) (2S)-2-acetamidobutanedioate
MOLECULAR FORMULA: C14H27NO11P2
MOLECULAR WEIGHT: 447.311802
SMILES: CC(=O)N[C@@H](CC(=O)OCCP(=O)(OC)OC)C(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 152819-35-7
CAS Name: 4-acetamidobutanoic acid 2-dimethoxyphosphorylethyl ester
OPENEYE Name: 2-dimethoxyphosphorylethyl 4-acetamidobutanoate
IUPAC Name: 2-dimethoxyphosphorylethyl 4-acetamidobutanoate
SYSTEMATIC NAME: 2-dimethoxyphosphorylethyl 4-acetamidobutanoate
MOLECULAR FORMULA: C10H20NO6P
MOLECULAR WEIGHT: 281.242661
SMILES: CC(=O)NCCCC(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 152819-34-6
CAS Name: 2-acetamidoacetic acid 2-dimethoxyphosphorylethyl ester
OPENEYE Name: 2-dimethoxyphosphorylethyl 2-acetamidoacetate
IUPAC Name: 2-dimethoxyphosphorylethyl 2-acetamidoacetate
SYSTEMATIC NAME: 2-dimethoxyphosphorylethyl 2-acetamidoethanoate
MOLECULAR FORMULA: C8H16NO6P
MOLECULAR WEIGHT: 253.189501
SMILES: CC(=O)NCC(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 152632-92-3
CAS Name: 3-hydroxy-2-[[oxo-[1,6,9,14-tetrahydroxy-5-[[3-hydroxy-6-methyl-5-(methylamino)-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-3-methyl-8,13-dioxo-11-[(3,4,5-trihydroxy-2-oxanyl)oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid
OPENEYE Name: 3-hydroxy-2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]p
IUPAC Name: 3-hydroxy-2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[3-methyl-5-[6-methyl-5-(methylamino)-3-oxidanyl-4-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-11-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]-3-oxidanyl-pro
MOLECULAR FORMULA: C44H50N2O23
MOLECULAR WEIGHT: 974.8674
SMILES: CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NC(CO)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC7C(C(C(CO7)O)O)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)NC
Structure:
CAS RN: 152632-91-2
CAS Name: 2-[[oxo-[1,6,9,14-tetrahydroxy-5-[[3-hydroxy-6-methyl-5-(methylamino)-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-3-methyl-8,13-dioxo-11-[(3,4,5-trihydroxy-2-oxanyl)oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propanoic acid
OPENEYE Name: 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic a
IUPAC Name: 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[3-methyl-5-[6-methyl-5-(methylamino)-3-oxidanyl-4-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-11-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C44H50N2O22
MOLECULAR WEIGHT: 958.868
SMILES: CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NC(C)C(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC7C(C(C(CO7)O)O)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)NC
Structure:
CAS RN: 152537-81-0
CAS Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-ylthio)-1-propanesulfonamide
OPENEYE Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-ylsulfanyl)propane-1-sulfonamide
IUPAC Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-ylsulfanyl)propane-1-sulfonamide
SYSTEMATIC NAME: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-ylsulfanyl)propane-1-sulfonamide
MOLECULAR FORMULA: C8H11N5O2S2
MOLECULAR WEIGHT: 273.33524
SMILES: C1=CC(=NN2C1=NC=N2)SCCCS(=O)(=O)N
Structure:
CAS RN: 152537-80-9
CAS Name: 6-[3-[(4-methyl-1-piperazinyl)sulfonyl]propoxy]-[1,2,4]triazolo[1,5-b]pyridazine
OPENEYE Name: 6-[3-(4-methylpiperazin-1-yl)sulfonylpropoxy]-[1,2,4]triazolo[1,5-b]pyridazine
IUPAC Name: 6-[3-(4-methylpiperazin-1-yl)sulfonylpropoxy]-[1,2,4]triazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-[3-(4-methylpiperazin-1-yl)sulfonylpropoxy]-[1,2,4]triazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C13H20N6O3S
MOLECULAR WEIGHT: 340.4013
SMILES: CN1CCN(CC1)S(=O)(=O)CCCOC2=NN3C(=NC=N3)C=C2
Structure:
CAS RN: 152537-79-6
CAS Name: N,N-dimethyl-3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)-1-propanesulfonamide
OPENEYE Name: N,N-dimethyl-3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
IUPAC Name: N,N-dimethyl-3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
SYSTEMATIC NAME: N,N-dimethyl-3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
MOLECULAR FORMULA: C10H15N5O3S
MOLECULAR WEIGHT: 285.3228
SMILES: CN(C)S(=O)(=O)CCCOC1=NN2C(=NC=N2)C=C1
Structure:
CAS RN: 152537-78-5
CAS Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)-1-propanesulfonamide
OPENEYE Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
IUPAC Name: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
SYSTEMATIC NAME: 3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
MOLECULAR FORMULA: C8H11N5O3S
MOLECULAR WEIGHT: 257.26964
SMILES: C1=CC(=NN2C1=NC=N2)OCCCS(=O)(=O)N
Structure:
CAS RN: 152537-76-3
CAS Name: 2-[(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-ethyl-1-butanesulfonamide
OPENEYE Name: 2-[(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-ethyl-butane-1-sulfonamide
IUPAC Name: 2-[(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-ethylbutane-1-sulfonamide
SYSTEMATIC NAME: 2-[(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-ethyl-butane-1-sulfonamide
MOLECULAR FORMULA: C14H23N5O3S
MOLECULAR WEIGHT: 341.42912
SMILES: CCC(CC)(COC1=NN2C(=NC(=N2)C)C(=C1)C)CS(=O)(=O)N
Structure:
CAS RN: 152537-75-2
CAS Name: 2-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-methyl-1-butanesulfonamide
OPENEYE Name: 2-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-methyl-butane-1-sulfonamide
IUPAC Name: 2-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-methylbutane-1-sulfonamide
SYSTEMATIC NAME: 2-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-methyl-butane-1-sulfonamide
MOLECULAR FORMULA: C13H21N5O3S
MOLECULAR WEIGHT: 327.40254
SMILES: CCC(C)(COC1=NN2C(=NC(=N2)C)C=C1C)CS(=O)(=O)N
Structure:
CAS RN: 152537-74-1
CAS Name: 3-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethyl-1-propanesulfonamide
OPENEYE Name: 3-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethyl-propane-1-sulfonamide
IUPAC Name: 3-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
SYSTEMATIC NAME: 3-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethyl-propane-1-sulfonamide
MOLECULAR FORMULA: C12H19N5O3S
MOLECULAR WEIGHT: 313.37596
SMILES: CC1=CC2=NC(=NN2N=C1OCC(C)(C)CS(=O)(=O)N)C
Structure:
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