CAS RN: 7248-75-1
CAS Name: (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol
OPENEYE Name: (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol
IUPAC Name: (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol
SYSTEMATIC NAME: (2S)-4-(6-aminopurin-9-yl)butane-1,2-diol
MOLECULAR FORMULA: C9H13N5O2
MOLECULAR WEIGHT: 223.23182
SMILES: C1=NC2=C(C(=N1)N)N=CN2CC[C@@H](CO)O
Structure:
CAS RN: 69826-63-7
CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic acid
OPENEYE Name: 2-(naphthalene-2-carbonylamino)acetic acid
IUPAC Name: 2-(naphthalene-2-carbonylamino)acetic acid
SYSTEMATIC NAME: 2-(naphthalen-2-ylcarbonylamino)ethanoic acid
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NCC(=O)O
Structure:
CAS RN: 34841-40-2
CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic acid
OPENEYE Name: 2-(naphthalene-2-carbonylamino)acetic acid
IUPAC Name: 2-(naphthalene-2-carbonylamino)acetic acid
SYSTEMATIC NAME: 2-(naphthalen-2-ylcarbonylamino)ethanoic acid
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NCC(=O)O
Structure:
CAS RN: 7152-35-4
CAS Name: (2S)-2-amino-4-(2,4-dioxo-1-pyrimidinyl)butanoic acid
OPENEYE Name: (2S)-2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
IUPAC Name: (2S)-2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C1=CN(C(=O)NC1=O)CC[C@@H](C(=O)O)N
Structure:
CAS RN: 7151-20-4
CAS Name: [(2R)-2-(1-oxohexadecoxy)-3-(1-oxotetradecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C38H76NO8P
MOLECULAR WEIGHT: 705.985701
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 69435-48-9
CAS Name: 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
OPENEYE Name: 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
IUPAC Name: 2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
MOLECULAR FORMULA: C11H13BrN2O
MOLECULAR WEIGHT: 269.13772
SMILES: C1CCN(C2=C(C1)N=CC=C2)C(=O)CBr
Structure:
CAS RN: 69393-95-9
CAS Name: (6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a,9-triol
OPENEYE Name: (6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol
IUPAC Name: (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
SYSTEMATIC NAME: (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: C1[C@@]2([C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O
Structure:
CAS RN: 7148-46-1
CAS Name: (6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a,9-triol
OPENEYE Name: (6aS,11aS)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a,9-triol
IUPAC Name: (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
SYSTEMATIC NAME: (6aS,11aS)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: C1[C@@]2([C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O
Structure:
CAS RN: 7143-89-7
CAS Name: (5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydro-1-benzopyran-4-one
OPENEYE Name: (5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one
IUPAC Name: (5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one
SYSTEMATIC NAME: (5S,6R)-6-ethyl-3-(hydroxymethyl)-5-oxidanyl-5,6,7,8-tetrahydrochromen-4-one
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CC[C@@H]1CCC2=C([C@H]1O)C(=O)C(=CO2)CO
Structure:
CAS RN: 71411-64-8
CAS Name: (3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: (3S,5R,10S,13R,14R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: (3S,5R,10S,13R,14R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: (3S,5R,10S,13R,14R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 69082-47-9
CAS Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-(phenylmethyl)-4-piperidinecarboxamide
OPENEYE Name: N-(4-amino-5-chloro-2-methoxy-phenyl)-1-benzyl-piperidine-4-carboxamide
IUPAC Name: N-(4-amino-5-chloro-2-methoxyphenyl)-1-benzylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C20H24ClN3O2
MOLECULAR WEIGHT: 373.87646
SMILES: COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC=C3
Structure:
CAS RN: 70553-75-2
CAS Name: tetradecanoic acid [(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-(1-oxotetradecoxy)propyl] ester
OPENEYE Name: [(2R)-3-[2-(dimethylamino)ethoxy-hydroxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
IUPAC Name: [(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
SYSTEMATIC NAME: [(2R)-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
MOLECULAR FORMULA: C35H70NO8P
MOLECULAR WEIGHT: 663.905961
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC
Structure:
CAS RN: 106610-60-0
CAS Name: 2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid
OPENEYE Name: 2-[2-(2,6-dichloro-3-hydroxy-4-methoxy-anilino)phenyl]acetic acid
IUPAC Name: 2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[[2,6-bis(chloranyl)-4-methoxy-3-oxidanyl-phenyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C15H13Cl2NO4
MOLECULAR WEIGHT: 342.17402
SMILES: COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl
Structure:
CAS RN: 122249-95-0
CAS Name: hexadecanoic acid [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] ester
OPENEYE Name: [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
IUPAC Name: [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
SYSTEMATIC NAME: [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
MOLECULAR FORMULA: C46H80O4
MOLECULAR WEIGHT: 697.125
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5CC(CC[C@@]5([C@H](C[C@]4([C@@]3(CCC2C1(C)C)C)C)O)CO)(C)C)C
Structure:
CAS RN: 106484-98-4
CAS Name: 2-(3,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
OPENEYE Name: 2-(3,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
IUPAC Name: 2-(3,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-[[3,5-bis(chloranyl)phenyl]amino]ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C11H4Cl2N4
MOLECULAR WEIGHT: 263.08226
SMILES: C1=C(C=C(C=C1Cl)Cl)NC(=C(C#N)C#N)C#N
Structure:
CAS RN: 122249-41-6
CAS Name: methanesulfonate; 1-[4-[2-(2-octadecoxyethoxy)ethoxy]butyl]pyridin-1-ium
OPENEYE Name: methanesulfonate; 1-[4-[2-(2-octadecoxyethoxy)ethoxy]butyl]pyridin-1-ium
IUPAC Name: methanesulfonate; 1-[4-[2-(2-octadecoxyethoxy)ethoxy]butyl]pyridin-1-ium
SYSTEMATIC NAME: methanesulfonate; 1-[4-[2-(2-octadecoxyethoxy)ethoxy]butyl]pyridin-1-ium
MOLECULAR FORMULA: C32H61NO6S
MOLECULAR WEIGHT: 587.89484
SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCCC[N+]1=CC=CC=C1.CS(=O)(=O)[O-]
Structure:
CAS RN: 106484-97-3
CAS Name: 2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
OPENEYE Name: 2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
IUPAC Name: 2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]amino]ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C11H4Cl2N4
MOLECULAR WEIGHT: 263.08226
SMILES: C1=CC(=C(C=C1Cl)NC(=C(C#N)C#N)C#N)Cl
Structure:
CAS RN: 122246-01-9
CAS Name: 3-(5-oxo-2H-furan-4-yl)propanoic acid
OPENEYE Name: 3-(5-oxo-2H-furan-4-yl)propanoic acid
IUPAC Name: 3-(5-oxo-2H-furan-4-yl)propanoic acid
SYSTEMATIC NAME: 3-(5-oxidanylidene-2H-furan-4-yl)propanoic acid
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: C1C=C(C(=O)O1)CCC(=O)O
Structure:
CAS RN: 122222-44-0
CAS Name: 7-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]heptanoic acid
OPENEYE Name: 7-[(2-benzyl-3-sulfanyl-propanoyl)amino]heptanoic acid
IUPAC Name: 7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
SYSTEMATIC NAME: 7-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]heptanoic acid
MOLECULAR FORMULA: C17H25NO3S
MOLECULAR WEIGHT: 323.4503
SMILES: C1=CC=C(C=C1)CC(CS)C(=O)NCCCCCCC(=O)O
Structure:
CAS RN: 122228-60-8
CAS Name: 5-[(2,4,4-trimethyl-1-cyclohexenyl)methyl]-1-phenazinone
OPENEYE Name: 5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
IUPAC Name: 5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
SYSTEMATIC NAME: 5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
MOLECULAR FORMULA: C22H24N2O
MOLECULAR WEIGHT: 332.43876
SMILES: CC1=C(CCC(C1)(C)C)CN2C3=CC=CC=C3N=C4C2=CC=CC4=O
Structure:
CAS RN: 106444-87-5
CAS Name: 9-[[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]nonanoic acid methyl ester
OPENEYE Name: methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxynonanoate
IUPAC Name: methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxynonanoate
SYSTEMATIC NAME: methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxynonanoate
MOLECULAR FORMULA: C30H53NO18
MOLECULAR WEIGHT: 715.73772
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)OCCCCCCCCC(=O)OC)O)O)O)CO)O)O)CO)O)O
Structure:
CAS RN: 122168-72-3
CAS Name: 1H-indazol-5-yl-[4-(1-piperidinyl)phenyl]diazene
OPENEYE Name: 1H-indazol-5-yl-[4-(1-piperidyl)phenyl]diazene
IUPAC Name: 1H-indazol-5-yl-(4-piperidin-1-ylphenyl)diazene
SYSTEMATIC NAME: 1H-indazol-5-yl-(4-piperidin-1-ylphenyl)diazene
MOLECULAR FORMULA: C18H19N5
MOLECULAR WEIGHT: 305.37696
SMILES: C1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC4=C(C=C3)NN=C4
Structure:
CAS RN: 122168-71-2
CAS Name: 4-(1H-indazol-5-ylazo)-N-methylaniline
OPENEYE Name: 4-(1H-indazol-5-ylazo)-N-methyl-aniline
IUPAC Name: 4-(1H-indazol-5-yldiazenyl)-N-methylaniline
SYSTEMATIC NAME: 4-(1H-indazol-5-yldiazenyl)-N-methyl-aniline
MOLECULAR FORMULA: C14H13N5
MOLECULAR WEIGHT: 251.28652
SMILES: CNC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)NN=C3
Structure:
CAS RN: 122168-70-1
CAS Name: N-methyl-4-[(1-methyl-5-indazolyl)azo]aniline
OPENEYE Name: N-methyl-4-(1-methylindazol-5-yl)azo-aniline
IUPAC Name: N-methyl-4-[(1-methylindazol-5-yl)diazenyl]aniline
SYSTEMATIC NAME: N-methyl-4-[(1-methylindazol-5-yl)diazenyl]aniline
MOLECULAR FORMULA: C15H15N5
MOLECULAR WEIGHT: 265.3131
SMILES: CNC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N(N=C3)C
Structure:
CAS RN: 122168-69-8
CAS Name: N,N-dimethyl-4-[(1-methyl-5-indazolyl)azo]aniline
OPENEYE Name: N,N-dimethyl-4-(1-methylindazol-5-yl)azo-aniline
IUPAC Name: N,N-dimethyl-4-[(1-methylindazol-5-yl)diazenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(1-methylindazol-5-yl)diazenyl]aniline
MOLECULAR FORMULA: C16H17N5
MOLECULAR WEIGHT: 279.33968
SMILES: CN1C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)N(C)C)C=N1
Structure:
CAS RN: 122148-72-5
CAS Name: 2-(3-chloropropyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: 2-(3-chloropropyl)-2,5,7,8-tetramethyl-chroman-6-ol
IUPAC Name: 2-(3-chloropropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: 2-(3-chloranylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C16H23ClO2
MOLECULAR WEIGHT: 282.80562
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)CCCCl)C)O
Structure:
CAS RN: 122143-92-4
CAS Name: acetic acid [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl] ester
OPENEYE Name: [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxy-phenyl] acetate
IUPAC Name: [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-hydroxyphenyl] acetate
SYSTEMATIC NAME: [3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-oxidanyl-phenyl] ethanoate
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)OC(=O)C)O)CCC=C2C)C
Structure:
CAS RN: 122130-63-6
CAS Name: (2S)-1-[(2S)-2-methyl-3-(nitrosothio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-methyl-3-nitrososulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-methyl-3-nitrososulfanylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-methyl-3-nitrososulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C9H14N2O4S
MOLECULAR WEIGHT: 246.28346
SMILES: C[C@H](CSN=O)C(=O)N1CCC[C@H]1C(=O)O
Structure:
CAS RN: 122127-73-5
CAS Name: 2-acetyl-4-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 2-acetyl-4-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 2-acetyl-4-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2-ethanoyl-4-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C28H34O8
MOLECULAR WEIGHT: 498.56476
SMILES: CC(=CCC1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)CC=C(C)C)O)O)C(=O)C)O)C
Structure:
CAS RN: 122087-86-9
CAS Name: N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide
OPENEYE Name: N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide
IUPAC Name: N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide
SYSTEMATIC NAME: N-(4-oxidanylidene-6-bicyclo[3.2.0]hepta-2,6-dienyl)ethanamide
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: CC(=O)NC1=CC2C1C(=O)C=C2
Structure:
CAS RN: 106332-52-9
CAS Name: 3-azido-9-ethylcarbazole
OPENEYE Name: 3-azido-9-ethyl-carbazole
IUPAC Name: 3-azido-9-ethylcarbazole
SYSTEMATIC NAME: 3-azido-9-ethyl-carbazole
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: CCN1C2=C(C=C(C=C2)N=[N+]=[N-])C3=CC=CC=C31
Structure:
CAS RN: 122079-36-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H16O6S
MOLECULAR WEIGHT: 468.47734
SMILES: C1=CC=C2C(=C1)C3(C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)O)OS2(=O)=O
Structure:
CAS RN: 122075-70-1
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C30H43N7O5
MOLECULAR WEIGHT: 581.70632
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N
Structure:
CAS RN: 106288-50-0
CAS Name: 5-amino-6-[[5-[5-amino-2-[[3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxy-3-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]-2-(aminomethyl)oxane-3,4-diol
OPENEYE Name: 5-amino-6-[5-[5-amino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-3-(methylamino)cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-2-(aminomethyl)tetrahydropyran-3,4-diol
IUPAC Name: 5-amino-6-[5-[5-amino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-3-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
SYSTEMATIC NAME: 2-(aminomethyl)-5-azanyl-6-[5-[5-azanyl-2-[3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-(methylamino)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
MOLECULAR FORMULA: C24H47N5O14
MOLECULAR WEIGHT: 629.65508
SMILES: CNC1CC(C(C(C1OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
Structure:
CAS RN: 106256-88-6
CAS Name: acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-1,4,5-triacetyloxy-2-hydroxy-6-oxohexan-3-yl]oxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(1R,2S,3R)-2,3-diacetoxy-1-[(1R)-2-acetoxy-1-hydroxy-ethyl]-4-oxo-butoxy]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-1,4,5-triacetyloxy-2-hydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-1,4,5-triacetyloxy-2-oxidanyl-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H36O18
MOLECULAR WEIGHT: 636.55324
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](COC(=O)C)O)[C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 122033-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC1=C2C=CC3=C(C2=C(C=C1)C)C4C(O4)C(C3O)O
Structure:
CAS RN: 122089-49-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC1=C2C=CC3=C(C2=C(C=C1)C)C4C(O4)C(C3O)O
Structure:
CAS RN: 122033-48-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17FN2O3S
MOLECULAR WEIGHT: 384.423983
SMILES: C[C@H]1CSC2=C3N1C=C(C(=O)C3=CC(=C2C4=CC(=NC(=C4)C)C)F)C(=O)O
Structure:
CAS RN: 106219-33-4
CAS Name: carbonic acid [3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-methylphenyl] ester
OPENEYE Name: [3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-methyl-phenyl] hydrogen carbonate
IUPAC Name: [3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylphenyl] hydrogen carbonate
SYSTEMATIC NAME: [3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-phenyl] hydrogen carbonate
MOLECULAR FORMULA: C12H9FN2O5
MOLECULAR WEIGHT: 280.208663
SMILES: CC1=C(C=CC=C1OC(=O)O)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 122024-96-8
CAS Name: acetic acid [5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
OPENEYE Name: [5-[2-(dimethylamino)ethyl]-8-methyl-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
IUPAC Name: [5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [5-[2-(dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C23H28N2O3S
MOLECULAR WEIGHT: 412.54502
SMILES: CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C
Structure:
CAS RN: 106212-90-2
CAS Name: 2-fluoro-5-hydroxy-3,6-dimethyl-4-pyridinecarboxaldehyde
OPENEYE Name: 2-fluoro-5-hydroxy-3,6-dimethyl-pyridine-4-carbaldehyde
IUPAC Name: 2-fluoro-5-hydroxy-3,6-dimethylpyridine-4-carbaldehyde
SYSTEMATIC NAME: 2-fluoranyl-3,6-dimethyl-5-oxidanyl-pyridine-4-carbaldehyde
MOLECULAR FORMULA: C8H8FNO2
MOLECULAR WEIGHT: 169.153023
SMILES: CC1=C(C(=C(N=C1F)C)O)C=O
Structure:
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