CAS RN: 120559-62-8
CAS Name: 3-chloro-6-decyl-5-hydroxy-4-methylcyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 3-chloro-6-decyl-5-hydroxy-4-methyl-1,2-benzoquinone
IUPAC Name: 3-chloro-6-decyl-5-hydroxy-4-methylcyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3-chloranyl-6-decyl-4-methyl-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C17H25ClO3
MOLECULAR WEIGHT: 312.8316
SMILES: CCCCCCCCCCC1=C(C(=C(C(=O)C1=O)Cl)C)O
Structure:
CAS RN: 106094-52-4
CAS Name: [[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5S)-5-[5-methyl-5,6-bis(oxidanyl)-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H19N2O16P3
MOLECULAR WEIGHT: 516.182943
SMILES: CC1(C(N(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O
Structure:
CAS RN: 120551-57-7
CAS Name: 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
OPENEYE Name: 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
IUPAC Name: 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
MOLECULAR FORMULA: C22H22N2
MOLECULAR WEIGHT: 314.42348
SMILES: CC1(CC(C2=C1C3=CC=CC=C3N2)(C)C4=CNC5=CC=CC=C54)C
Structure:
CAS RN: 120547-02-6
CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide
OPENEYE Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitro-benzamide
IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide
SYSTEMATIC NAME: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-azido-2-nitro-benzamide
MOLECULAR FORMULA: C17H28N8O3
MOLECULAR WEIGHT: 392.45602
SMILES: C1=CC(=C(C=C1N=[N+]=[N-])C(=O)NCCCNCCCCNCCCN)[N+](=O)[O-]
Structure:
CAS RN: 138109-67-8
CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide
OPENEYE Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitro-benzamide
IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-azido-2-nitrobenzamide
SYSTEMATIC NAME: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-5-azido-2-nitro-benzamide
MOLECULAR FORMULA: C17H28N8O3
MOLECULAR WEIGHT: 392.45602
SMILES: C1=CC(=C(C=C1N=[N+]=[N-])C(=O)NCCCNCCCCNCCCN)[N+](=O)[O-]
Structure:
CAS RN: 120542-30-5
CAS Name: (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
OPENEYE Name: (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
IUPAC Name: (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
SYSTEMATIC NAME: (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: CC1=C2CC[C@]3([C@H]([C@@H]2C[C@H]4C1=CC(=O)CC4)CCC3=O)C
Structure:
CAS RN: 120542-29-2
CAS Name: (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
OPENEYE Name: (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
IUPAC Name: (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
SYSTEMATIC NAME: (3S,3aS,10aS,11aS,11bS)-3a,6-dimethyl-3-oxidanyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC1=C2CC[C@]3([C@H]([C@@H]2C[C@H]4C1=CC(=O)CC4)CC[C@@H]3O)C
Structure:
CAS RN: 106094-51-3
CAS Name: [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5S)-5-[(5S)-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H19N2O14P3
MOLECULAR WEIGHT: 484.184143
SMILES: C[C@H]1CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 106083-70-9
CAS Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]amino]butanoic acid
OPENEYE Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoyl]amino]butanoic acid
IUPAC Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid
SYSTEMATIC NAME: 4-[[(2R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]butanoic acid
MOLECULAR FORMULA: C16H29NO10
MOLECULAR WEIGHT: 395.40216
SMILES: CC(C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C(=O)NCCCC(=O)O)O
Structure:
CAS RN: 120509-24-2
CAS Name: 2,2,4-trimethyl-6-[2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-yl]-1H-quinoline
OPENEYE Name: 2,2,4-trimethyl-6-[1-methyl-1-(2,2,4-trimethyl-1H-quinolin-6-yl)ethyl]-1H-quinoline
IUPAC Name: 2,2,4-trimethyl-6-[2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-yl]-1H-quinoline
SYSTEMATIC NAME: 2,2,4-trimethyl-6-[2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-yl]-1H-quinoline
MOLECULAR FORMULA: C27H34N2
MOLECULAR WEIGHT: 386.57226
SMILES: CC1=CC(NC2=C1C=C(C=C2)C(C)(C)C3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C
Structure:
CAS RN: 106078-47-1
CAS Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)-3-indolyl]propanoic acid hydrochloride
OPENEYE Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)indol-3-yl]propanoic acid hydrochloride
IUPAC Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)indol-3-yl]propanoic acid hydrochloride
SYSTEMATIC NAME: (2S)-2-acetamido-3-[1-[3,4-bis(oxidanyl)phenyl]indol-3-yl]propanoic acid hydrochloride
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: CC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C3=CC(=C(C=C3)O)O)C(=O)O.Cl
Structure:
CAS RN: 106077-19-4
CAS Name: 5-(2-chlorophenyl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: 5-(2-chlorophenyl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: 5-(2-chlorophenyl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 5-(2-chlorophenyl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C15H10ClIN2O
MOLECULAR WEIGHT: 394.610324
SMILES: C1C(=O)NC2=C(C=C(C=C2)[125I])C(=N1)C3=CC=CC=C3Cl
Structure:
CAS RN: 120493-42-7
CAS Name: (2S)-2-amino-3-methylbutanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester
OPENEYE Name: [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] (2S)-2-amino-3-methyl-butanoate
IUPAC Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-3-methylbutanoate
SYSTEMATIC NAME: [1-(4-chlorophenyl)-2-methyl-propan-2-yl] (2S)-2-azanyl-3-methyl-butanoate
MOLECULAR FORMULA: C15H22ClNO2
MOLECULAR WEIGHT: 283.79368
SMILES: CC(C)[C@@H](C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N
Structure:
CAS RN: 120484-56-2
CAS Name: N-[(2S)-4-hydroxy-3-oxo-1-phenyl-5-(2-pyridinyldisulfanyl)pentan-2-yl]acetamide
OPENEYE Name: N-[(1S)-1-benzyl-3-hydroxy-2-oxo-4-(2-pyridyldisulfanyl)butyl]acetamide
IUPAC Name: N-[(2S)-4-hydroxy-3-oxo-1-phenyl-5-(pyridin-2-yldisulfanyl)pentan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-4-oxidanyl-3-oxidanylidene-1-phenyl-5-(pyridin-2-yldisulfanyl)pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H20N2O3S2
MOLECULAR WEIGHT: 376.493
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(CSSC2=CC=CC=N2)O
Structure:
CAS RN: 106073-17-0
CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
OPENEYE Name: 2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
IUPAC Name: 2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-oxidanylidene-3,4-dihydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1C(C(=O)NC2=CC=CC=C21)C#N
Structure:
CAS RN: 106072-73-5
CAS Name: 6-fluoro-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
OPENEYE Name: 6-fluoro-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
IUPAC Name: 6-fluoro-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
SYSTEMATIC NAME: 6-fluoranyl-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
MOLECULAR FORMULA: C10H10FNO2
MOLECULAR WEIGHT: 195.190303
SMILES: C1COC2C1(C3=C(N2)C=C(C=C3)F)O
Structure:
CAS RN: 106060-89-3
CAS Name: [(2S,3S,5S)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2S,3S,5S)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2S,3S,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2S,3S,5S)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O10P2
MOLECULAR WEIGHT: 427.201122
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
Structure:
CAS RN: 106009-86-3
CAS Name: 2-methylpropanoic acid [2-[3-(acetyloxymethyl)-2-oxiranyl]-5-methylphenyl] ester
OPENEYE Name: [2-[3-(acetoxymethyl)oxiran-2-yl]-5-methyl-phenyl] 2-methylpropanoate
IUPAC Name: [2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
SYSTEMATIC NAME: [2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methyl-phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C16H20O5
MOLECULAR WEIGHT: 292.327
SMILES: CC1=CC(=C(C=C1)C2C(O2)COC(=O)C)OC(=O)C(C)C
Structure:
CAS RN: 106006-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: CN1CCC2=CC=CC3=C2C1CC4=C3N=C(S4)N
Structure:
CAS RN: 105997-04-4
CAS Name: 2-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione
OPENEYE Name: 2-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-1,6,10-trihydroxy-8-methyl-tetracene-5,12-dione
IUPAC Name: 2-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione
SYSTEMATIC NAME: 8-methyl-2-[(2S,4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]-1,6,10-tris(oxidanyl)tetracene-5,12-dione
MOLECULAR FORMULA: C25H22O8
MOLECULAR WEIGHT: 450.43738
SMILES: C[C@@H]1[C@H]([C@@H](C[C@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=C5C(=CC(=CC5=C4O)C)O)O)O)O
Structure:
CAS RN: 105970-04-5
CAS Name: 2-amino-1-[(2-methyl-4-methylene-5-oxo-2-oxolanyl)methyl]-7H-purin-6-one
OPENEYE Name: 2-amino-1-[(2-methyl-4-methylene-5-oxo-tetrahydrofuran-2-yl)methyl]-7H-purin-6-one
IUPAC Name: 2-amino-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]-7H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-1-[(2-methyl-4-methylidene-5-oxidanylidene-oxolan-2-yl)methyl]-7H-purin-6-one
MOLECULAR FORMULA: C12H13N5O3
MOLECULAR WEIGHT: 275.26332
SMILES: CC1(CC(=C)C(=O)O1)CN2C(=O)C3=C(N=CN3)N=C2N
Structure:
CAS RN: 105970-03-4
CAS Name: 5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylene-2-oxolanone
OPENEYE Name: 5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylene-tetrahydrofuran-2-one
IUPAC Name: 5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylideneoxolan-2-one
SYSTEMATIC NAME: 5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylidene-oxolan-2-one
MOLECULAR FORMULA: C12H13N5O2
MOLECULAR WEIGHT: 259.26392
SMILES: CC1(CC(=C)C(=O)O1)CN2C=NC3=C2N=CN=C3N
Structure:
CAS RN: 105958-84-7
CAS Name: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid
OPENEYE Name: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid
IUPAC Name: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid
SYSTEMATIC NAME: 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1CN=C(N1)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 120482-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: CC1=CC(=O)OC2=NC3=C(C=C12)C(=C(O3)C)C
Structure:
CAS RN: 120465-04-5
CAS Name: 7-bromo-2-(4-piperidinyl)-5-benzofuranol
OPENEYE Name: 7-bromo-2-(4-piperidyl)benzofuran-5-ol
IUPAC Name: 7-bromo-2-piperidin-4-yl-1-benzofuran-5-ol
SYSTEMATIC NAME: 7-bromanyl-2-piperidin-4-yl-1-benzofuran-5-ol
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: C1CNCCC1C2=CC3=CC(=CC(=C3O2)Br)O
Structure:
CAS RN: 120461-92-9
CAS Name: benzoic acid 1-[12-(2-benzoyloxypropyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-1-perylenyl]propan-2-yl ester
OPENEYE Name: [2-[12-(2-benzoyloxypropyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-perylen-1-yl]-1-methyl-ethyl] benzoate
IUPAC Name: 1-[12-(2-benzoyloxypropyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate
SYSTEMATIC NAME: 1-[2,6,7,11-tetramethoxy-3,10-bis(oxidanyl)-4,9-bis(oxidanylidene)-12-[2-(phenylcarbonyloxy)propyl]perylen-1-yl]propan-2-yl benzoate
MOLECULAR FORMULA: C44H38O12
MOLECULAR WEIGHT: 758.76532
SMILES: CC(CC1=C(C(=C2C(=O)C=C(C3=C4C(=CC(=O)C5=C(C(=C(C(=C45)C1=C32)CC(C)OC(=O)C6=CC=CC=C6)OC)O)OC)OC)O)OC)OC(=O)C7=CC=CC=C7
Structure:
CAS RN: 120450-72-8
CAS Name: (S)-[5-[(R)-hydroxy-(4-methoxyphenyl)methyl]-2-thiophenyl]-(4-methoxyphenyl)methanol
OPENEYE Name: (S)-[5-[(R)-hydroxy-(4-methoxyphenyl)methyl]-2-thienyl]-(4-methoxyphenyl)methanol
IUPAC Name: (S)-[5-[(R)-hydroxy-(4-methoxyphenyl)methyl]thiophen-2-yl]-(4-methoxyphenyl)methanol
SYSTEMATIC NAME: (S)-(4-methoxyphenyl)-[5-[(R)-(4-methoxyphenyl)-oxidanyl-methyl]thiophen-2-yl]methanol
MOLECULAR FORMULA: C20H20O4S
MOLECULAR WEIGHT: 356.4354
SMILES: COC1=CC=C(C=C1)[C@H](C2=CC=C(S2)[C@H](C3=CC=C(C=C3)OC)O)O
Structure:
CAS RN: 120425-64-1
CAS Name: 1-(1-oxo-2-propylpentyl)-2-pyrrolidinone
OPENEYE Name: 1-(2-propylpentanoyl)pyrrolidin-2-one
IUPAC Name: 1-(2-propylpentanoyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-propylpentanoyl)pyrrolidin-2-one
MOLECULAR FORMULA: C12H21NO2
MOLECULAR WEIGHT: 211.30064
SMILES: CCCC(CCC)C(=O)N1CCCC1=O
Structure:
CAS RN: 120418-62-4
CAS Name: 3-(4-chlorophenyl)pyrrolidine
OPENEYE Name: 3-(4-chlorophenyl)pyrrolidine
IUPAC Name: 3-(4-chlorophenyl)pyrrolidine
SYSTEMATIC NAME: 3-(4-chlorophenyl)pyrrolidine
MOLECULAR FORMULA: C10H12ClN
MOLECULAR WEIGHT: 181.66198
SMILES: C1CNCC1C2=CC=C(C=C2)Cl
Structure:
CAS RN: 120411-63-4
CAS Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
OPENEYE Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-octoxy-ethoxy]-heptyl-phosphinic acid
IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
SYSTEMATIC NAME: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octoxy-propan-2-yl]oxy-heptyl-phosphinic acid
MOLECULAR FORMULA: C20H45NO8P2
MOLECULAR WEIGHT: 489.520722
SMILES: CCCCCCCCOC[C@H](COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O
Structure:
CAS RN: 120399-38-4
CAS Name: N'-cyano-3-[[2-(diaminomethylideneamino)-5-thiazolyl]methylthio]propanimidamide
OPENEYE Name: N'-cyano-3-[(2-guanidinothiazol-5-yl)methylsulfanyl]propanamidine
IUPAC Name: N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-5-yl]methylsulfanyl]propanimidamide
SYSTEMATIC NAME: 3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-5-yl]methylsulfanyl]-N'-cyano-propanimidamide
MOLECULAR FORMULA: C9H13N7S2
MOLECULAR WEIGHT: 283.37642
SMILES: C1=C(SC(=N1)N=C(N)N)CSCCC(=NC#N)N
Structure:
CAS RN: 120398-89-2
CAS Name: 2-[(2-nitro-1-imidazolyl)methoxy]propane-1,3-diol
OPENEYE Name: 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
IUPAC Name: 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
SYSTEMATIC NAME: 2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
MOLECULAR FORMULA: C7H11N3O5
MOLECULAR WEIGHT: 217.17934
SMILES: C1=CN(C(=N1)[N+](=O)[O-])COC(CO)CO
Structure:
CAS RN: 105919-73-1
CAS Name: N-(2-pentoxyphenyl)carbamic acid [1-(1-azepanyl)-3-methoxypropan-2-yl] ester
OPENEYE Name: [1-(azepan-1-ylmethyl)-2-methoxy-ethyl] N-(2-pentoxyphenyl)carbamate
IUPAC Name: [1-(azepan-1-yl)-3-methoxypropan-2-yl] N-(2-pentoxyphenyl)carbamate
SYSTEMATIC NAME: [1-(azepan-1-yl)-3-methoxy-propan-2-yl] N-(2-pentoxyphenyl)carbamate
MOLECULAR FORMULA: C22H36N2O4
MOLECULAR WEIGHT: 392.53224
SMILES: CCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCCC2)COC
Structure:
CAS RN: 120388-18-3
CAS Name: 2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)ethanone
OPENEYE Name: 2-bromo-1-(4-hydroxy-3,5-dinitro-phenyl)ethanone
IUPAC Name: 2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(3,5-dinitro-4-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H5BrN2O6
MOLECULAR WEIGHT: 305.0391
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(=O)CBr
Structure:
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