CAS RN: 63154-95-0
CAS Name: 3,3-bis(ethylthio)-4-(4-morpholinyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-2-one
OPENEYE Name: 3,3-bis(ethylsulfanyl)-4-morpholino-5,6,7,8-tetrahydro-4H-chromen-2-one
IUPAC Name: 3,3-bis(ethylsulfanyl)-4-morpholin-4-yl-5,6,7,8-tetrahydro-4H-chromen-2-one
SYSTEMATIC NAME: 3,3-bis(ethylsulfanyl)-4-morpholin-4-yl-5,6,7,8-tetrahydro-4H-chromen-2-one
MOLECULAR FORMULA: C17H27NO3S2
MOLECULAR WEIGHT: 357.53118
SMILES: CCSC1(C(C2=C(CCCC2)OC1=O)N3CCOCC3)SCC
Structure:
CAS RN: 63154-93-8
CAS Name: 4-(dimethylamino)-3,3-bis(ethylthio)-5,6,7,8-tetrahydro-4H-1-benzopyran-2-one
OPENEYE Name: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-5,6,7,8-tetrahydro-4H-chromen-2-one
IUPAC Name: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-5,6,7,8-tetrahydro-4H-chromen-2-one
SYSTEMATIC NAME: 4-(dimethylamino)-3,3-bis(ethylsulfanyl)-5,6,7,8-tetrahydro-4H-chromen-2-one
MOLECULAR FORMULA: C15H25NO2S2
MOLECULAR WEIGHT: 315.4945
SMILES: CCSC1(C(C2=C(CCCC2)OC1=O)N(C)C)SCC
Structure:
CAS RN: 61363-53-9
CAS Name: 4-methylthiane-3,5-dione
OPENEYE Name: 4-methyltetrahydrothiopyran-3,5-dione
IUPAC Name: 4-methylthiane-3,5-dione
SYSTEMATIC NAME: 4-methylthiane-3,5-dione
MOLECULAR FORMULA: C6H8O2S
MOLECULAR WEIGHT: 144.19152
SMILES: CC1C(=O)CSCC1=O
Structure:
CAS RN: 64837-44-1
CAS Name: (4-chlorophenyl)-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
OPENEYE Name: (4-chlorophenyl)-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
IUPAC Name: (4-chlorophenyl)-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
SYSTEMATIC NAME: (5-chloranyl-1,3,4-thiadiazol-2-yl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C9H4Cl2N2OS
MOLECULAR WEIGHT: 259.11186
SMILES: C1=CC(=CC=C1C(=O)C2=NN=C(S2)Cl)Cl
Structure:
CAS RN: 24397-14-6
CAS Name: 4-amino-2-hexoxybenzoic acid
OPENEYE Name: 4-amino-2-hexoxy-benzoic acid
IUPAC Name: 4-amino-2-hexoxybenzoic acid
SYSTEMATIC NAME: 4-azanyl-2-hexoxy-benzoic acid
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CCCCCCOC1=C(C=CC(=C1)N)C(=O)O
Structure:
CAS RN: 2486-52-4
CAS Name: 4-amino-2-bromobenzoic acid
OPENEYE Name: 4-amino-2-bromo-benzoic acid
IUPAC Name: 4-amino-2-bromobenzoic acid
SYSTEMATIC NAME: 4-azanyl-2-bromanyl-benzoic acid
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: C1=CC(=C(C=C1N)Br)C(=O)O
Structure:
CAS RN: 40943-19-9
CAS Name: 7-[3-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C19H25N5O5
MOLECULAR WEIGHT: 403.4323
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=C(C=C3)O)CO)O
Structure:
CAS RN: 34547-44-9
CAS Name: 3-methyl-1',3'-diphenylspiro[1,3-benzothiazole-2,5'-imidazolidine]-2',4'-dione
OPENEYE Name: 3-methyl-1',3'-diphenyl-spiro[1,3-benzothiazole-2,5'-imidazolidine]-2',4'-dione
IUPAC Name: 3-methyl-1',3'-diphenylspiro[1,3-benzothiazole-2,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: 3-methyl-1',3'-diphenyl-spiro[1,3-benzothiazole-2,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C22H17N3O2S
MOLECULAR WEIGHT: 387.45428
SMILES: CN1C2=CC=CC=C2SC13C(=O)N(C(=O)N3C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 62681-24-7
CAS Name: 1-oxo-3-(phenylhydrazo)-2-indenecarboxamide
OPENEYE Name: 1-oxo-3-(2-phenylhydrazino)indene-2-carboxamide
IUPAC Name: 1-oxo-3-(2-phenylhydrazinyl)indene-2-carboxamide
SYSTEMATIC NAME: 1-oxidanylidene-3-(2-phenylhydrazinyl)indene-2-carboxamide
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: C1=CC=C(C=C1)NNC2=C(C(=O)C3=CC=CC=C32)C(=O)N
Structure:
CAS RN: 62681-26-9
CAS Name: 3-amino-1,9-dioxo-4-indeno[2,1-c]pyrancarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-1,9-dioxo-indeno[2,1-c]pyran-4-carboxylate
IUPAC Name: ethyl 3-amino-1,9-dioxoindeno[2,1-c]pyran-4-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1,9-bis(oxidanylidene)indeno[2,1-c]pyran-4-carboxylate
MOLECULAR FORMULA: C15H11NO5
MOLECULAR WEIGHT: 285.25154
SMILES: CCOC(=O)C1=C(OC(=O)C2=C1C3=CC=CC=C3C2=O)N
Structure:
CAS RN: 62681-23-6
CAS Name: 2-(4-methylphenyl)-3,9-dioxo-4-indeno[2,1-c]pyridazinecarbonitrile
OPENEYE Name: 3,9-dioxo-2-(p-tolyl)indeno[2,1-c]pyridazine-4-carbonitrile
IUPAC Name: 2-(4-methylphenyl)-3,9-dioxoindeno[2,1-c]pyridazine-4-carbonitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)-3,9-bis(oxidanylidene)indeno[2,1-c]pyridazine-4-carbonitrile
MOLECULAR FORMULA: C19H11N3O2
MOLECULAR WEIGHT: 313.30954
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=C3C4=CC=CC=C4C(=O)C3=N2)C#N
Structure:
CAS RN: 62681-21-4
CAS Name: 1-hydroxy-3,9-dioxo-2H-indeno[2,1-c]pyridine-4-carbonitrile
OPENEYE Name: 1-hydroxy-3,9-dioxo-2H-indeno[2,1-c]pyridine-4-carbonitrile
IUPAC Name: 1-hydroxy-3,9-dioxo-2H-indeno[2,1-c]pyridine-4-carbonitrile
SYSTEMATIC NAME: 1-oxidanyl-3,9-bis(oxidanylidene)-2H-indeno[2,1-c]pyridine-4-carbonitrile
MOLECULAR FORMULA: C13H6N2O3
MOLECULAR WEIGHT: 238.19834
SMILES: C1=CC=C2C(=C1)C3=C(C(=O)NC(=C3C2=O)O)C#N
Structure:
CAS RN: 61488-87-7
CAS Name: 2-amino-6-[[octoxy(oxo)methyl]amino]hexanoic acid
OPENEYE Name: 2-amino-6-(octoxycarbonylamino)hexanoic acid
IUPAC Name: 2-amino-6-(octoxycarbonylamino)hexanoic acid
SYSTEMATIC NAME: 2-azanyl-6-(octoxycarbonylamino)hexanoic acid
MOLECULAR FORMULA: C15H30N2O4
MOLECULAR WEIGHT: 302.4097
SMILES: CCCCCCCCOC(=O)NCCCCC(C(=O)O)N
Structure:
CAS RN: 59888-54-9
CAS Name: 3-mercapto-2,3,10,10-tetramethyl-10aH-pyrazino[1,2-a]indole-1,4-dione
OPENEYE Name: 2,3,10,10-tetramethyl-3-sulfanyl-10aH-pyrazino[1,2-a]indole-1,4-dione
IUPAC Name: 2,3,10,10-tetramethyl-3-sulfanyl-10aH-pyrazino[1,2-a]indole-1,4-dione
SYSTEMATIC NAME: 2,3,10,10-tetramethyl-3-sulfanyl-10aH-pyrazino[1,2-a]indole-1,4-dione
MOLECULAR FORMULA: C15H18N2O2S
MOLECULAR WEIGHT: 290.38062
SMILES: CC1(C2C(=O)N(C(C(=O)N2C3=CC=CC=C31)(C)S)C)C
Structure:
CAS RN: 59888-47-0
CAS Name: 10a-mercapto-2,10,10-trimethyl-3-methylenepyrazino[1,2-a]indole-1,4-dione
OPENEYE Name: 2,10,10-trimethyl-3-methylene-10a-sulfanyl-pyrazino[1,2-a]indole-1,4-dione
IUPAC Name: 2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione
SYSTEMATIC NAME: 2,10,10-trimethyl-3-methylidene-10a-sulfanyl-pyrazino[1,2-a]indole-1,4-dione
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: CC1(C2=CC=CC=C2N3C1(C(=O)N(C(=C)C3=O)C)S)C
Structure:
CAS RN: 59888-49-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16N2O2S2
MOLECULAR WEIGHT: 320.42974
SMILES: CC1(C2=CC=CC=C2N3C14C(=O)N(C(C3=O)(SS4)C)C)C
Structure:
CAS RN: 55455-45-3
CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate
IUPAC Name: methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate
SYSTEMATIC NAME: methyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate
MOLECULAR FORMULA: C8H12N4O4
MOLECULAR WEIGHT: 228.20528
SMILES: CC1=NC=C(N1CCNC(=O)OC)[N+](=O)[O-]
Structure:
CAS RN: 67938-71-0
CAS Name: 2-amino-2-(5-chloro-2-pyridinyl)acetic acid
OPENEYE Name: 2-amino-2-(5-chloro-2-pyridyl)acetic acid
IUPAC Name: 2-amino-2-(5-chloropyridin-2-yl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(5-chloranylpyridin-2-yl)ethanoic acid
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: C1=CC(=NC=C1Cl)C(C(=O)O)N
Structure:
CAS RN: 68634-33-3
CAS Name: 1-prop-1-ynylsulfinyl-1-propyne
OPENEYE Name: 1-prop-1-ynylsulfinylprop-1-yne
IUPAC Name: 1-prop-1-ynylsulfinylprop-1-yne
SYSTEMATIC NAME: 1-prop-1-ynylsulfinylprop-1-yne
MOLECULAR FORMULA: C6H6OS
MOLECULAR WEIGHT: 126.17624
SMILES: CC#CS(=O)C#CC
Structure:
CAS RN: 70580-76-6
CAS Name: acetic acid [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-[[(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-3-oxanyl] ester
OPENEYE Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]tetrahydropyran-3-yl] acetate
IUPAC Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
SYSTEMATIC NAME: [6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-[2,2,2-tris(fluoranyl)ethanoylamino]-2-[[2,2,2-tris(fluoranyl)ethanoylamino]methyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C33H30F6N2O13
MOLECULAR WEIGHT: 776.587319
SMILES: CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)CNC(=O)C(F)(F)F)OC(=O)C)NC(=O)C(F)(F)F)O
Structure:
CAS RN: 24744-58-9
CAS Name: 2-(3,5-dibromo-4-hydroxyphenyl)acetic acid
OPENEYE Name: 2-(3,5-dibromo-4-hydroxy-phenyl)acetic acid
IUPAC Name: 2-(3,5-dibromo-4-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethanoic acid
MOLECULAR FORMULA: C8H6Br2O3
MOLECULAR WEIGHT: 309.93944
SMILES: C1=C(C=C(C(=C1Br)O)Br)CC(=O)O
Structure:
CAS RN: 64187-48-0
CAS Name: 4-hydroxypyrrolidine-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
IUPAC Name: 1-O-benzyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-methyl O1-(phenylmethyl) 4-oxidanylpyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)O
Structure:
CAS RN: 59873-16-4
CAS Name: acetic acid (4-acetyloxy-2-phenanthrenyl) ester
OPENEYE Name: (4-acetoxy-2-phenanthryl) acetate
IUPAC Name: (4-acetyloxyphenanthren-2-yl) acetate
SYSTEMATIC NAME: (4-acetyloxyphenanthren-2-yl) ethanoate
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: CC(=O)OC1=CC(=C2C(=C1)C=CC3=CC=CC=C32)OC(=O)C
Structure:
CAS RN: 59873-25-5
CAS Name: 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,4-diacetoxy-9,10-dihydrophenanthrene-3-carboxylate
IUPAC Name: ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
SYSTEMATIC NAME: ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CCOC(=O)C1=C(C=C2CCC3=CC=CC=C3C2=C1OC(=O)C)OC(=O)C
Structure:
CAS RN: 59873-27-7
CAS Name: acetic acid [2-[3-(4-fluorophenyl)propoxy]-9,10-dihydrophenanthren-4-yl] ester
OPENEYE Name: [2-[3-(4-fluorophenyl)propoxy]-9,10-dihydrophenanthren-4-yl] acetate
IUPAC Name: [2-[3-(4-fluorophenyl)propoxy]-9,10-dihydrophenanthren-4-yl] acetate
SYSTEMATIC NAME: [2-[3-(4-fluorophenyl)propoxy]-9,10-dihydrophenanthren-4-yl] ethanoate
MOLECULAR FORMULA: C25H23FO3
MOLECULAR WEIGHT: 390.446723
SMILES: CC(=O)OC1=C2C(=CC(=C1)OCCCC3=CC=C(C=C3)F)CCC4=CC=CC=C42
Structure:
CAS RN: 59873-28-8
CAS Name: acetic acid (2-octoxy-9,10-dihydrophenanthren-4-yl) ester
OPENEYE Name: (2-octoxy-9,10-dihydrophenanthren-4-yl) acetate
IUPAC Name: (2-octoxy-9,10-dihydrophenanthren-4-yl) acetate
SYSTEMATIC NAME: (2-octoxy-9,10-dihydrophenanthren-4-yl) ethanoate
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: CCCCCCCCOC1=CC(=C2C(=C1)CCC3=CC=CC=C32)OC(=O)C
Structure:
CAS RN: 59873-22-2
CAS Name: 2,4-dioctoxyphenanthrene
OPENEYE Name: 2,4-dioctoxyphenanthrene
IUPAC Name: 2,4-dioctoxyphenanthrene
SYSTEMATIC NAME: 2,4-dioctoxyphenanthrene
MOLECULAR FORMULA: C30H42O2
MOLECULAR WEIGHT: 434.65328
SMILES: CCCCCCCCOC1=CC(=C2C(=C1)C=CC3=CC=CC=C32)OCCCCCCCC
Structure:
CAS RN: 59873-12-0
CAS Name: 2,4-bis[3-(4-fluorophenyl)propoxy]-3-phenanthrenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate
IUPAC Name: ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate
SYSTEMATIC NAME: ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate
MOLECULAR FORMULA: C35H32F2O4
MOLECULAR WEIGHT: 554.622986
SMILES: CCOC(=O)C1=C(C=C2C=CC3=CC=CC=C3C2=C1OCCCC4=CC=C(C=C4)F)OCCCC5=CC=C(C=C5)F
Structure:
CAS RN: 59873-21-1
CAS Name: acetic acid (2-octoxy-4-phenanthrenyl) ester
OPENEYE Name: (2-octoxy-4-phenanthryl) acetate
IUPAC Name: (2-octoxyphenanthren-4-yl) acetate
SYSTEMATIC NAME: (2-octoxyphenanthren-4-yl) ethanoate
MOLECULAR FORMULA: C24H28O3
MOLECULAR WEIGHT: 364.47732
SMILES: CCCCCCCCOC1=CC(=C2C(=C1)C=CC3=CC=CC=C32)OC(=O)C
Structure:
CAS RN: 59873-20-0
CAS Name: acetic acid [2-[3-(4-fluorophenyl)propoxy]-4-phenanthrenyl] ester
OPENEYE Name: [2-[3-(4-fluorophenyl)propoxy]-4-phenanthryl] acetate
IUPAC Name: [2-[3-(4-fluorophenyl)propoxy]phenanthren-4-yl] acetate
SYSTEMATIC NAME: [2-[3-(4-fluorophenyl)propoxy]phenanthren-4-yl] ethanoate
MOLECULAR FORMULA: C25H21FO3
MOLECULAR WEIGHT: 388.430843
SMILES: CC(=O)OC1=C2C(=CC(=C1)OCCCC3=CC=C(C=C3)F)C=CC4=CC=CC=C42
Structure:
CAS RN: 64395-07-9
CAS Name: 8-oxo-6H-furo[3,4-g][1,3]benzodioxole-6-carboxylic acid
OPENEYE Name: 8-oxo-6H-furo[3,4-g][1,3]benzodioxole-6-carboxylic acid
IUPAC Name: 8-oxo-6H-furo[3,4-g][1,3]benzodioxole-6-carboxylic acid
SYSTEMATIC NAME: 8-oxidanylidene-6H-furo[3,4-g][1,3]benzodioxole-6-carboxylic acid
MOLECULAR FORMULA: C10H6O6
MOLECULAR WEIGHT: 222.15104
SMILES: C1OC2=C(O1)C3=C(C=C2)C(OC3=O)C(=O)O
Structure:
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