CAS RN: 122022-77-9
CAS Name: 1,5,5,7,7-pentachloro-4-(dichloromethylidene)-2-oxaspiro[2.4]heptan-6-ol
OPENEYE Name: 1,5,5,7,7-pentachloro-4-(dichloromethylene)-2-oxaspiro[2.4]heptan-6-ol
IUPAC Name: 1,5,5,7,7-pentachloro-4-(dichloromethylidene)-2-oxaspiro[2.4]heptan-6-ol
SYSTEMATIC NAME: 4-[bis(chloranyl)methylidene]-1,5,5,7,7-pentakis(chloranyl)-2-oxaspiro[2.4]heptan-6-ol
MOLECULAR FORMULA: C7H3Cl7O2
MOLECULAR WEIGHT: 367.26852
SMILES: C1(C(C(=C(Cl)Cl)C2(C1(Cl)Cl)C(O2)Cl)(Cl)Cl)O
Structure:
CAS RN: 122089-28-5
CAS Name: 1,5,5,7,7-pentachloro-4-(dichloromethylidene)-2-oxaspiro[2.4]heptan-6-ol
OPENEYE Name: 1,5,5,7,7-pentachloro-4-(dichloromethylene)-2-oxaspiro[2.4]heptan-6-ol
IUPAC Name: 1,5,5,7,7-pentachloro-4-(dichloromethylidene)-2-oxaspiro[2.4]heptan-6-ol
SYSTEMATIC NAME: 4-[bis(chloranyl)methylidene]-1,5,5,7,7-pentakis(chloranyl)-2-oxaspiro[2.4]heptan-6-ol
MOLECULAR FORMULA: C7H3Cl7O2
MOLECULAR WEIGHT: 367.26852
SMILES: C1(C(C(=C(Cl)Cl)C2(C1(Cl)Cl)C(O2)Cl)(Cl)Cl)O
Structure:
CAS RN: 122021-01-6
CAS Name: 4-[methyl(nitroso)amino]benzoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl 4-[methyl(nitroso)amino]benzoate
IUPAC Name: 2-ethylhexyl 4-[methyl(nitroso)amino]benzoate
SYSTEMATIC NAME: 2-ethylhexyl 4-[methyl(nitroso)amino]benzoate
MOLECULAR FORMULA: C16H24N2O3
MOLECULAR WEIGHT: 292.37336
SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)N=O
Structure:
CAS RN: 122018-93-3
CAS Name: [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] dihydrogen phosphate
OPENEYE Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] dihydrogen phosphate
IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] dihydrogen phosphate
SYSTEMATIC NAME: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] dihydrogen phosphate
MOLECULAR FORMULA: C10H6F3O6P
MOLECULAR WEIGHT: 310.120011
SMILES: C1=CC2=C(C=C1OP(=O)(O)O)OC(=O)C=C2C(F)(F)F
Structure:
CAS RN: 122018-91-1
CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydr
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1S,2R)-1-carboxy
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxida
MOLECULAR FORMULA: C54H75N11O18S
MOLECULAR WEIGHT: 1198.3012
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)N)O
Structure:
CAS RN: 106190-45-8
CAS Name: N-[5-amino-2-[[3-(aminomethyl)-4,5,6-trihydroxy-2-oxanyl]oxy]-4-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl]oxy]-3-hydroxycyclohexyl]hexadecanamide
OPENEYE Name: N-[5-amino-2-[3-(aminomethyl)-4,5,6-trihydroxy-tetrahydropyran-2-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]hexadecanamide
IUPAC Name: N-[5-amino-2-[3-(aminomethyl)-4,5,6-trihydroxyoxan-2-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3-hydroxycyclohexyl]hexadecanamide
SYSTEMATIC NAME: N-[2-[3-(aminomethyl)-4,5,6-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-4-[6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]hexadecanamide
MOLECULAR FORMULA: C36H65F3N4O13
MOLECULAR WEIGHT: 818.91551
SMILES: CCCCCCCCCCCCCCCC(=O)NC1CC(C(C(C1OC2C(C(C(C(O2)O)O)O)CN)O)OC3C(C(C(C(O3)CO)O)NC(=O)C(F)(F)F)O)N
Structure:
CAS RN: 122018-90-0
CAS Name: 3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
OPENEYE Name: 3-[(2S,3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
IUPAC Name: 3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SYSTEMATIC NAME: 3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
MOLECULAR FORMULA: C31H32N6O4
MOLECULAR WEIGHT: 552.62358
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=C4C(=NN3)C(=NC(=N4)N)N)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 106190-43-6
CAS Name: N-[5-amino-4-[[4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[[3-(aminomethyl)-4,5,6-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]hexadecanamide
OPENEYE Name: N-[5-amino-4-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[3-(aminomethyl)-4,5,6-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]hexadecanamide
IUPAC Name: N-[5-amino-4-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[3-(aminomethyl)-4,5,6-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]hexadecanamide
SYSTEMATIC NAME: N-[2-[3-(aminomethyl)-4,5,6-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-4-[4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]hexadecanamide
MOLECULAR FORMULA: C34H66N4O12
MOLECULAR WEIGHT: 722.90744
SMILES: CCCCCCCCCCCCCCCC(=O)NC1CC(C(C(C1OC2C(C(C(C(O2)O)O)O)CN)O)OC3C(C(C(C(O3)CO)O)N)O)N
Structure:
CAS RN: 122018-89-7
CAS Name: 1-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]pyrrole-2,5-dione
OPENEYE Name: 1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxypyrrole-2,5-dione
IUPAC Name: 1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypyrrole-2,5-dione
SYSTEMATIC NAME: 1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxypyrrole-2,5-dione
MOLECULAR FORMULA: C16H23NO13
MOLECULAR WEIGHT: 437.35272
SMILES: C1=CC(=O)N(C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Structure:
CAS RN: 122018-87-5
CAS Name: 3,6-dihydro-2H-oxazin-6-amine
OPENEYE Name: 3,6-dihydro-2H-oxazin-6-amine
IUPAC Name: 3,6-dihydro-2H-oxazin-6-amine
SYSTEMATIC NAME: 3,6-dihydro-2H-1,2-oxazin-6-amine
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C1C=CC(ON1)N
Structure:
CAS RN: 122018-86-4
CAS Name: 3-(5-isoxazolyl)-1-propanamine
OPENEYE Name: 3-isoxazol-5-ylpropan-1-amine
IUPAC Name: 3-(1,2-oxazol-5-yl)propan-1-amine
SYSTEMATIC NAME: 3-(1,2-oxazol-5-yl)propan-1-amine
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: C1=C(ON=C1)CCCN
Structure:
CAS RN: 122009-61-4
CAS Name: 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2H-tetrazol-5-yl)butyl]-5-tetrazolyl]butoxy]phenyl]ethanone
OPENEYE Name: 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2H-tetrazol-5-yl)butyl]tetrazol-5-yl]butoxy]phenyl]ethanone
IUPAC Name: 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2H-tetrazol-5-yl)butyl]tetrazol-5-yl]butoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[2-oxidanyl-3-propyl-4-[4-[2-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]-1,2,3,4-tetrazol-5-yl]butoxy]phenyl]ethanone
MOLECULAR FORMULA: C21H30N8O3
MOLECULAR WEIGHT: 442.5147
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NN(N=N2)CCCCC3=NNN=N3
Structure:
CAS RN: 106175-18-2
CAS Name: (2R,3R,4S,5S)-2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(methylthio)methyl]oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5S)-2-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C12H16N4O3S
MOLECULAR WEIGHT: 296.34544
SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C=CN=C3N)O)O
Structure:
CAS RN: 122009-54-5
CAS Name: 4-pentoxy-2-(4-prop-2-enyl-1-piperazinyl)quinazoline
OPENEYE Name: 2-(4-allylpiperazin-1-yl)-4-pentoxy-quinazoline
IUPAC Name: 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SYSTEMATIC NAME: 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
MOLECULAR FORMULA: C20H28N4O
MOLECULAR WEIGHT: 340.46252
SMILES: CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C
Structure:
CAS RN: 122006-32-0
CAS Name: 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)-1-cyclopentenecarboxaldehyde
OPENEYE Name: 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde
IUPAC Name: 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde
SYSTEMATIC NAME: 3,3,5,5-tetrakis(chloranyl)-4-oxidanyl-2-(trichloromethyl)cyclopentene-1-carbaldehyde
MOLECULAR FORMULA: C7H3Cl7O2
MOLECULAR WEIGHT: 367.26852
SMILES: C(=O)C1=C(C(C(C1(Cl)Cl)O)(Cl)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 106146-19-4
CAS Name: 2-(mercaptomethyl)pentanedioic acid
OPENEYE Name: 2-(sulfanylmethyl)pentanedioic acid
IUPAC Name: 2-(sulfanylmethyl)pentanedioic acid
SYSTEMATIC NAME: 2-(sulfanylmethyl)pentanedioic acid
MOLECULAR FORMULA: C6H10O4S
MOLECULAR WEIGHT: 178.2062
SMILES: C(CC(=O)O)C(CS)C(=O)O
Structure:
CAS RN: 122005-23-6
CAS Name: 2,2,4,4-tetrachloro-1-(dichloromethyl)-5-(dichloromethylidene)cyclopentane-1,3-diol
OPENEYE Name: 2,2,4,4-tetrachloro-1-(dichloromethyl)-5-(dichloromethylene)cyclopentane-1,3-diol
IUPAC Name: 2,2,4,4-tetrachloro-1-(dichloromethyl)-5-(dichloromethylidene)cyclopentane-1,3-diol
SYSTEMATIC NAME: 1-[bis(chloranyl)methyl]-5-[bis(chloranyl)methylidene]-2,2,4,4-tetrakis(chloranyl)cyclopentane-1,3-diol
MOLECULAR FORMULA: C7H4Cl8O2
MOLECULAR WEIGHT: 403.72946
SMILES: C1(C(C(=C(Cl)Cl)C(C1(Cl)Cl)(C(Cl)Cl)O)(Cl)Cl)O
Structure:
CAS RN: 122001-32-5
CAS Name: 2-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]acetonitrile
OPENEYE Name: 2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acetonitrile
IUPAC Name: 2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethanenitrile
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)O
Structure:
CAS RN: 106133-33-9
CAS Name: 3-[[2-amino-5-[carbamimidoyl(methyl)amino]-3-methyl-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid
OPENEYE Name: 3-[[2-amino-5-[carbamimidoyl(methyl)amino]-3-methyl-pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
IUPAC Name: 3-[[2-amino-5-[carbamimidoyl(methyl)amino]-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
SYSTEMATIC NAME: 3-[[2-azanyl-5-[carbamimidoyl(methyl)amino]-3-methyl-pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
MOLECULAR FORMULA: C18H28N8O5
MOLECULAR WEIGHT: 436.46552
SMILES: CC(CCN(C)C(=N)N)C(C(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N
Structure:
CAS RN: 121979-45-1
CAS Name: acetic acid (2-acetyloxy-3-hydroxy-3-methyl-5-oxo-1-cyclopentenyl) ester
OPENEYE Name: (2-acetoxy-3-hydroxy-3-methyl-5-oxo-cyclopenten-1-yl) acetate
IUPAC Name: (2-acetyloxy-3-hydroxy-3-methyl-5-oxocyclopenten-1-yl) acetate
SYSTEMATIC NAME: (2-acetyloxy-3-methyl-3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl) ethanoate
MOLECULAR FORMULA: C10H12O6
MOLECULAR WEIGHT: 228.19868
SMILES: CC(=O)OC1=C(C(CC1=O)(C)O)OC(=O)C
Structure:
CAS RN: 121955-14-4
CAS Name: [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] dihydrogen phosphate
OPENEYE Name: [(1R,2R,3R)-1-[(1S)-1,2-dihydroxyethyl]-2,3,4-trihydroxy-butyl] dihydrogen phosphate
IUPAC Name: [(2S,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-1,2,4,5,6-pentakis(oxidanyl)hexan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C6H15O9P
MOLECULAR WEIGHT: 262.151661
SMILES: C([C@H]([C@H]([C@@H]([C@H](CO)O)OP(=O)(O)O)O)O)O
Structure:
CAS RN: 107368-95-6
CAS Name: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-1,3,7-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O5
MOLECULAR WEIGHT: 408.5714
SMILES: C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3([C@H](C[C@H](C4)O)O)C)O)C
Structure:
CAS RN: 107355-76-0
CAS Name: 5-[3-[2,6-dichloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]propyl]-3-methylisoxazole
OPENEYE Name: 5-[3-[2,6-dichloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]propyl]-3-methyl-isoxazole
IUPAC Name: 5-[3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
SYSTEMATIC NAME: 5-[3-[2,6-bis(chloranyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
MOLECULAR FORMULA: C16H16Cl2N2O3
MOLECULAR WEIGHT: 355.21584
SMILES: CC1=NOC(=C1)CCCOC2=C(C=C(C=C2Cl)C3=NCCO3)Cl
Structure:
CAS RN: 107348-47-0
CAS Name: 3-(2-pyridinyldisulfanyl)butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-(2-pyridyldisulfanyl)butanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)butanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-(pyridin-2-yldisulfanyl)butanoate
MOLECULAR FORMULA: C13H14N2O4S2
MOLECULAR WEIGHT: 326.39126
SMILES: CC(CC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2
Structure:
CAS RN: 107346-18-9
CAS Name: 4-amino-8-butyl-N-(cyclopropylmethyl)-3-cinnolinecarboxamide
OPENEYE Name: 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide
IUPAC Name: 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide
SYSTEMATIC NAME: 4-azanyl-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide
MOLECULAR FORMULA: C17H22N4O
MOLECULAR WEIGHT: 298.38278
SMILES: CCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)NCC3CC3
Structure:
CAS RN: 107334-06-5
CAS Name: 7-[3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
OPENEYE Name: 7-[3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC Name: 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-[3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H23FN4O3
MOLECULAR WEIGHT: 374.409323
SMILES: CC(C)(C1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N
Structure:
CAS RN: 107325-69-9
CAS Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide
OPENEYE Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide iodide
IUPAC Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyridin-1-ium-3-carboxamide iodide
SYSTEMATIC NAME: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide iodide
MOLECULAR FORMULA: C12H17IN2O5
MOLECULAR WEIGHT: 396.17825
SMILES: C[N+]1=CC(=CC(=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.[I-]
Structure:
CAS RN: 107325-67-7
CAS Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-pyridinecarboxamide
OPENEYE Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-3-carboxamide
IUPAC Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
SYSTEMATIC NAME: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: C1=C(C=NC=C1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
Structure:
CAS RN: 107320-38-7
CAS Name: 2-(4-methyl-2-furanyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(4-methyl-2-furyl)-1,4-benzoquinone
IUPAC Name: 2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C11H8O3
MOLECULAR WEIGHT: 188.17942
SMILES: CC1=COC(=C1)C2=CC(=O)C=CC2=O
Structure:
CAS RN: 121935-03-3
CAS Name: 6-(difluoromethoxy)-4-oxo-7-(1-piperazinyl)-1H-quinoline-3-carboxylic acid
OPENEYE Name: 6-(difluoromethoxy)-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
IUPAC Name: 6-(difluoromethoxy)-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 6-[bis(fluoranyl)methoxy]-4-oxidanylidene-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C15H15F2N3O4
MOLECULAR WEIGHT: 339.294106
SMILES: C1CN(CCN1)C2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)OC(F)F
Structure:
CAS RN: 107316-68-7
CAS Name: 4-(2-ethylphenyl)-1-methyl-3,6-dihydro-2H-pyridine
OPENEYE Name: 4-(2-ethylphenyl)-1-methyl-3,6-dihydro-2H-pyridine
IUPAC Name: 4-(2-ethylphenyl)-1-methyl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 4-(2-ethylphenyl)-1-methyl-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C14H19N
MOLECULAR WEIGHT: 201.30736
SMILES: CCC1=CC=CC=C1C2=CCN(CC2)C
Structure:
CAS RN: 107316-26-7
CAS Name: 2-chloro-1-(2,4-dichlorophenyl)-3-(1-imidazolyl)-2-phenyl-1-propanone hydrochloride
OPENEYE Name: 2-chloro-1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-phenyl-propan-1-one hydrochloride
IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-1-one hydrochloride
SYSTEMATIC NAME: 2-chloranyl-1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-phenyl-propan-1-one hydrochloride
MOLECULAR FORMULA: C18H14Cl4N2O
MOLECULAR WEIGHT: 416.12856
SMILES: C1=CC=C(C=C1)C(CN2C=CN=C2)(C(=O)C3=C(C=C(C=C3)Cl)Cl)Cl.Cl
Structure:
CAS RN: 121888-03-7
CAS Name: 2-azido-4-nitrobenzoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxotetradecoxy)propan-2-yl] ester
OPENEYE Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] 2-azido-4-nitro-benzoate
IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] 2-azido-4-nitrobenzoate
SYSTEMATIC NAME: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] 2-azido-4-nitro-benzoate
MOLECULAR FORMULA: C26H42N5O10P
MOLECULAR WEIGHT: 617.605483
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[14CH2]N)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]
Structure:
CAS RN: 107240-29-9
CAS Name: 2-(4-amino-5-fluoropentyl)guanidine
OPENEYE Name: 2-(4-amino-5-fluoro-pentyl)guanidine
IUPAC Name: 2-(4-amino-5-fluoropentyl)guanidine
SYSTEMATIC NAME: 2-(4-azanyl-5-fluoranyl-pentyl)guanidine
MOLECULAR FORMULA: C6H15FN4
MOLECULAR WEIGHT: 162.208503
SMILES: C(CC(CF)N)CN=C(N)N
Structure:
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