CAS RN: 97314-22-2
CAS Name: ethanethioic acid S-[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]ethyl] ester; 2,2,2-trifluoroacetic acid
OPENEYE Name: S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate; 2,2,2-trifluoroacetic acid
IUPAC Name: S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: S-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethyl] ethanethioate; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C10H16F3N3O5S
MOLECULAR WEIGHT: 347.31135
SMILES: CC(=O)SCCNC(=O)CNC(=O)CN.C(=O)(C(F)(F)F)O
Structure:
CAS RN: 97305-48-1
CAS Name: (2S)-6-amino-2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic
OPENEYE Name: (2S)-6-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]c
MOLECULAR FORMULA: C39H60N8O13
MOLECULAR WEIGHT: 848.9395
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 97290-20-5
CAS Name: 2-[2-(2-amino-5-oxo-4H-imidazol-3-yl)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
OPENEYE Name: O3-ethyl O5-methyl 2-[2-(2-amino-5-oxo-4H-imidazol-3-yl)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-ethyl 5-O-methyl 2-[2-(2-amino-5-oxo-4H-imidazol-3-yl)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 2-[2-(2-azanyl-5-oxidanylidene-4H-imidazol-3-yl)ethoxymethyl]-4-[2,3-bis(chloranyl)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C23H26Cl2N4O6
MOLECULAR WEIGHT: 525.38174
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCN3CC(=O)N=C3N
Structure:
CAS RN: 97287-75-7
CAS Name: (2S,3S,4S,5R,6S)-6-[[6-[[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-2-oxanyl]oxy]-3-benzo[a]pyrenyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C32H28O14
MOLECULAR WEIGHT: 636.55632
SMILES: C1=CC=C2C(=C1)C3=C4C(=C2OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=CC6=C(C=CC(=C64)C=C3)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
Structure:
CAS RN: 97276-49-8
CAS Name: hexadecanoic acid [3-[[(2R,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]-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [3-[(2R,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]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
IUPAC Name: [3-[(2R,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]oxy-2-hexadecanoyloxypropyl] hexadecanoate
SYSTEMATIC NAME: [2-hexadecanoyloxy-3-[(2R,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]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C47H88O15
MOLECULAR WEIGHT: 893.19262
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 78228-88-3
CAS Name: acetic acid [(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-4-naphtho[1,2-c][2]benzopyranyl)-5-hydroxy-2-methyl-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R)-4-(dimethylamino)-5-hydroxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-naphtho[1,2-c]isochromen-4-yl)-2-methyl-tetrahydropyran-3-yl] acetate
IUPAC Name: [(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-10,12-dimethoxy-1-oxidanyl-6-oxidanylidene-naphtho[1,2-c]isochromen-4-yl)-2-methyl-5-oxidanyl-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C31H33NO9
MOLECULAR WEIGHT: 563.59502
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=CC(=CC(=C54)OC)C=C)OC)O)N(C)C)OC(=O)C
Structure:
CAS RN: 74524-18-8
CAS Name: (2S)-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanedioic acid
MOLECULAR FORMULA: C11H21NO9
MOLECULAR WEIGHT: 311.28574
SMILES: C(CC(=O)O)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 142259-95-8
CAS Name: 2-[4-[5-(3-phenylpropyl)-2-thiophenyl]butoxy]acetic acid
OPENEYE Name: 2-[4-[5-(3-phenylpropyl)-2-thienyl]butoxy]acetic acid
IUPAC Name: 2-[4-[5-(3-phenylpropyl)thiophen-2-yl]butoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[5-(3-phenylpropyl)thiophen-2-yl]butoxy]ethanoic acid
MOLECULAR FORMULA: C19H24O3S
MOLECULAR WEIGHT: 332.45706
SMILES: C1=CC=C(C=C1)CCCC2=CC=C(S2)CCCCOCC(=O)O
Structure:
CAS RN: 142226-75-3
CAS Name: 4,6,6-trichloro-3,3-dimethylhexanoic acid ethyl ester
OPENEYE Name: ethyl 4,6,6-trichloro-3,3-dimethyl-hexanoate
IUPAC Name: ethyl 4,6,6-trichloro-3,3-dimethylhexanoate
SYSTEMATIC NAME: ethyl 4,6,6-tris(chloranyl)-3,3-dimethyl-hexanoate
MOLECULAR FORMULA: C10H17Cl3O2
MOLECULAR WEIGHT: 275.59978
SMILES: CCOC(=O)CC(C)(C)C(CC(Cl)Cl)Cl
Structure:
CAS RN: 142182-52-3
CAS Name: (2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylene-7-(1-methylethenyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
OPENEYE Name: (2S,4aS,10aS)-5,8-dihydroxy-7-isopropenyl-6-methoxy-2,4a-dimethyl-1-methylene-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
IUPAC Name: (2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
SYSTEMATIC NAME: (2S,4aS,10aS)-6-methoxy-2,4a-dimethyl-1-methylidene-5,8-bis(oxidanyl)-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: C[C@H]1CC[C@]2([C@H](C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C
Structure:
CAS RN: 142182-00-1
CAS Name: N-(4-aminobutyl)-N-[[dimethylamino(oxo)methyl]amino]carbamic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) N-(4-aminobutyl)-N-(dimethylcarbamoylamino)carbamate
IUPAC Name: (4-nitrophenyl) N-(4-aminobutyl)-N-(dimethylcarbamoylamino)carbamate
SYSTEMATIC NAME: (4-nitrophenyl) N-(4-azanylbutyl)-N-(dimethylcarbamoylamino)carbamate
MOLECULAR FORMULA: C14H21N5O5
MOLECULAR WEIGHT: 339.34704
SMILES: CN(C)C(=O)NN(CCCCN)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 142181-99-5
CAS Name: N-(4-aminobutyl)-N-[[dimethylamino(oxo)methyl]amino]carbamic acid phenyl ester
OPENEYE Name: phenyl N-(4-aminobutyl)-N-(dimethylcarbamoylamino)carbamate
IUPAC Name: phenyl N-(4-aminobutyl)-N-(dimethylcarbamoylamino)carbamate
SYSTEMATIC NAME: phenyl N-(4-azanylbutyl)-N-(dimethylcarbamoylamino)carbamate
MOLECULAR FORMULA: C14H22N4O3
MOLECULAR WEIGHT: 294.34948
SMILES: CN(C)C(=O)NN(CCCCN)C(=O)OC1=CC=CC=C1
Structure:
CAS RN: 142181-98-4
CAS Name: N-(3-aminopropyl)-N-[[dimethylamino(oxo)methyl]amino]carbamic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate
IUPAC Name: (4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate
SYSTEMATIC NAME: (4-nitrophenyl) N-(3-azanylpropyl)-N-(dimethylcarbamoylamino)carbamate
MOLECULAR FORMULA: C13H19N5O5
MOLECULAR WEIGHT: 325.32046
SMILES: CN(C)C(=O)NN(CCCN)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 142154-95-8
CAS Name: (8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-fluoranyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C21H25FO3
MOLECULAR WEIGHT: 344.419803
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)F)CCC4=C3C=CC(=C4)O)OC
Structure:
CAS RN: 142058-13-7
CAS Name: 3-[bis(2-bromoethyl)amino]-1-(4-phenylphenyl)-1-propanone
OPENEYE Name: 3-[bis(2-bromoethyl)amino]-1-(4-phenylphenyl)propan-1-one
IUPAC Name: 3-[bis(2-bromoethyl)amino]-1-(4-phenylphenyl)propan-1-one
SYSTEMATIC NAME: 3-[bis(2-bromoethyl)amino]-1-(4-phenylphenyl)propan-1-one
MOLECULAR FORMULA: C19H21Br2NO
MOLECULAR WEIGHT: 439.18414
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCN(CCBr)CCBr
Structure:
CAS RN: 142058-12-6
CAS Name: 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)-1-propanone
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one
IUPAC Name: 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one
MOLECULAR FORMULA: C19H21Cl2NO
MOLECULAR WEIGHT: 350.28214
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCN(CCCl)CCCl
Structure:
CAS RN: 142038-28-6
CAS Name: N-(3,8-dimethyl-2-imidazo[4,5-f]quinolinyl)hydroxylamine
OPENEYE Name: N-(3,8-dimethylimidazo[4,5-f]quinolin-2-yl)hydroxylamine
IUPAC Name: N-(3,8-dimethylimidazo[4,5-f]quinolin-2-yl)hydroxylamine
SYSTEMATIC NAME: N-(3,8-dimethylimidazo[4,5-f]quinolin-2-yl)hydroxylamine
MOLECULAR FORMULA: C12H12N4O
MOLECULAR WEIGHT: 228.24988
SMILES: CC1=CN=C2C=CC3=C(C2=C1)N=C(N3C)NO
Structure:
CAS RN: 141955-94-4
CAS Name: 3-[3-(dimethylamino)propyl]-2-phenyl-4-thiazolidinone hydrochloride
OPENEYE Name: 3-[3-(dimethylamino)propyl]-2-phenyl-thiazolidin-4-one hydrochloride
IUPAC Name: 3-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazolidin-4-one hydrochloride
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazolidin-4-one hydrochloride
MOLECULAR FORMULA: C14H21ClN2OS
MOLECULAR WEIGHT: 300.84734
SMILES: CN(C)CCCN1C(SCC1=O)C2=CC=CC=C2.Cl
Structure:
CAS RN: 141817-19-8
CAS Name: 1-(4-iodo-2,5-dimethylphenyl)-2-propanamine
OPENEYE Name: 1-(4-iodo-2,5-dimethyl-phenyl)propan-2-amine
IUPAC Name: 1-(4-iodo-2,5-dimethylphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(4-iodanyl-2,5-dimethyl-phenyl)propan-2-amine
MOLECULAR FORMULA: C11H16IN
MOLECULAR WEIGHT: 289.15591
SMILES: CC1=CC(=C(C=C1CC(C)N)C)I
Structure:
CAS RN: 141766-10-1
CAS Name: 1-ethyl-3-(6-methyl-2-pyridinyl)urea
OPENEYE Name: 1-ethyl-3-(6-methyl-2-pyridyl)urea
IUPAC Name: 1-ethyl-3-(6-methylpyridin-2-yl)urea
SYSTEMATIC NAME: 1-ethyl-3-(6-methylpyridin-2-yl)urea
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: CCNC(=O)NC1=CC=CC(=N1)C
Structure:
CAS RN: 141723-90-2
CAS Name: acetic acid [4-[(3,4-dimethyl-5-isoxazolyl)imino]-1-oxo-2-naphthalenyl] ester
OPENEYE Name: [4-(3,4-dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] acetate
IUPAC Name: [4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxonaphthalen-2-yl] acetate
SYSTEMATIC NAME: [4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxidanylidene-naphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C17H14N2O4
MOLECULAR WEIGHT: 310.30406
SMILES: CC1=C(ON=C1C)N=C2C=C(C(=O)C3=CC=CC=C32)OC(=O)C
Structure:
CAS RN: 141696-90-4
CAS Name: N-[(1R,3R,4S)-3-bicyclo[2.2.1]heptanyl]-9-methyl-6-purinamine
OPENEYE Name: 9-methyl-N-[(1S,2R,4R)-norbornan-2-yl]purin-6-amine
IUPAC Name: N-[(1R,3R,4S)-3-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
SYSTEMATIC NAME: N-[(1R,3R,4S)-3-bicyclo[2.2.1]heptanyl]-9-methyl-purin-6-amine
MOLECULAR FORMULA: C13H17N5
MOLECULAR WEIGHT: 243.30758
SMILES: CN1C=NC2=C1N=CN=C2N[C@@H]3C[C@@H]4CC[C@H]3C4
Structure:
CAS RN: 141673-59-8
CAS Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate
IUPAC Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
MOLECULAR FORMULA: C11H15N4O8P
MOLECULAR WEIGHT: 362.232561
SMILES: COP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2NC=NC3=O)O)O
Structure:
CAS RN: 141612-08-0
CAS Name: N,N-bis(2-chloroethyl)-4-methylsulfinylaniline
OPENEYE Name: N,N-bis(2-chloroethyl)-4-methylsulfinyl-aniline
IUPAC Name: N,N-bis(2-chloroethyl)-4-methylsulfinylaniline
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-methylsulfinyl-aniline
MOLECULAR FORMULA: C11H15Cl2NOS
MOLECULAR WEIGHT: 280.2139
SMILES: CS(=O)C1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 141545-71-3
CAS Name: 4-[(2-bromo-1-oxoethyl)amino]benzoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 4-[(2-bromoacetyl)amino]benzoate
IUPAC Name: 2-(diethylamino)ethyl 4-[(2-bromoacetyl)amino]benzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-(2-bromanylethanoylamino)benzoate
MOLECULAR FORMULA: C15H21BrN2O3
MOLECULAR WEIGHT: 357.24284
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CBr
Structure:
CAS RN: 141490-47-3
CAS Name: 3-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenol
OPENEYE Name: 3-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenol
IUPAC Name: 3-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenol
SYSTEMATIC NAME: 3-(8-chloranyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenol
MOLECULAR FORMULA: C17H13ClN4O
MOLECULAR WEIGHT: 324.76432
SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=CC=C4)O
Structure:
CAS RN: 141474-83-1
CAS Name: 6-[(2S)-2-hydroxypropyl]-4-oxo-1-benzopyran-2-carboxylic acid
OPENEYE Name: 6-[(2S)-2-hydroxypropyl]-4-oxo-chromene-2-carboxylic acid
IUPAC Name: 6-[(2S)-2-hydroxypropyl]-4-oxochromene-2-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-6-[(2S)-2-oxidanylpropyl]chromene-2-carboxylic acid
MOLECULAR FORMULA: C13H12O5
MOLECULAR WEIGHT: 248.23138
SMILES: C[C@@H](CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O)O
Structure:
CAS RN: 141429-64-3
CAS Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-1-pentylpiperidine hydrochloride
OPENEYE Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-1-pentyl-piperidine hydrochloride
IUPAC Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-1-pentylpiperidine hydrochloride
SYSTEMATIC NAME: 4-[2-[3,4-bis(chloranyl)phenoxy]ethyl]-1-pentyl-piperidine hydrochloride
MOLECULAR FORMULA: C18H28Cl3NO
MOLECULAR WEIGHT: 380.78002
SMILES: CCCCCN1CCC(CC1)CCOC2=CC(=C(C=C2)Cl)Cl.Cl
Structure:
CAS RN: 141411-41-8
CAS Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyl-3-diazirinyl)ethylthio]-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[2-(3-methyl-1,2-diazirin-3-yl)ethylsulfanyl]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C12H21N3O5S
MOLECULAR WEIGHT: 319.37724
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SCCC2(N=N2)C)CO)O)O
Structure:
CAS RN: 141411-40-7
CAS Name: N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyl-3-diazirinyl)ethylthio]-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-[2-(3-methyl-1,2-diazirin-3-yl)ethylsulfanyl]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C12H21N3O5S
MOLECULAR WEIGHT: 319.37724
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1SCCC2(N=N2)C)CO)O)O
Structure:
CAS RN: 141320-64-1
CAS Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-3-methylidene-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C11H13N5O4
MOLECULAR WEIGHT: 279.25202
SMILES: C=C1[C@@H]([C@H](OC1N2C=NC3=C2NC(=NC3=O)N)CO)O
Structure:
CAS RN: 141196-85-2
CAS Name: 4-amino-1-[(2R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C1C(O[C@@H](O1)CO)N2C=CC(=NC2=O)N
Structure:
CAS RN: 140853-58-3
CAS Name: 2-(5-methoxy-3-benzofuranyl)-N,N-dimethylethanamine
OPENEYE Name: 2-(5-methoxybenzofuran-3-yl)-N,N-dimethyl-ethanamine
IUPAC Name: 2-(5-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(5-methoxy-1-benzofuran-3-yl)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CN(C)CCC1=COC2=C1C=C(C=C2)OC
Structure:
CAS RN: 73955-61-0
CAS Name: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonylimidazolidine
OPENEYE Name: 3,4,4-trimethyl-1-(p-tolylsulfonyl)imidazolidine
IUPAC Name: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonylimidazolidine
SYSTEMATIC NAME: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-imidazolidine
MOLECULAR FORMULA: C13H20N2O2S
MOLECULAR WEIGHT: 268.3751
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(C2)C)(C)C
Structure:
CAS RN: 140670-89-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC1=C(C=C2C=C3C=CCC([C@@H]3CC(=O)C2=C1)(C)C)O
Structure:
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