CAS RN: 5424-63-5
CAS Name: 1-phenyl-5-(1-pyrrolidinyl)-1-penten-3-one hydrochloride
OPENEYE Name: 1-phenyl-5-pyrrolidin-1-yl-pent-1-en-3-one hydrochloride
IUPAC Name: 1-phenyl-5-pyrrolidin-1-ylpent-1-en-3-one hydrochloride
SYSTEMATIC NAME: 1-phenyl-5-pyrrolidin-1-yl-pent-1-en-3-one hydrochloride
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: C1CCN(C1)CCC(=O)C=CC2=CC=CC=C2.Cl
Structure:
CAS RN: 160056-49-5
CAS Name: 9-[9-amino-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-purinamine
OPENEYE Name: 9-(9-amino-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)purin-6-amine
IUPAC Name: 9-[9-amino-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
SYSTEMATIC NAME: 9-[9-azanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
MOLECULAR FORMULA: C22H40N6O4Si2
MOLECULAR WEIGHT: 508.7618
SMILES: CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)N)O[Si](O1)(C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 21414-53-9
CAS Name: 6-(chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-(chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(chloromethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C6H10ClN5
MOLECULAR WEIGHT: 187.6301
SMILES: CN(C)C1=NC(=NC(=N1)N)CCl
Structure:
CAS RN: 161237-39-4
CAS Name: 3,4-dimethylbenzo[g]quinoline-5,10-dione
OPENEYE Name: 3,4-dimethylbenzo[g]quinoline-5,10-dione
IUPAC Name: 3,4-dimethylbenzo[g]quinoline-5,10-dione
SYSTEMATIC NAME: 3,4-dimethylbenzo[g]quinoline-5,10-dione
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: CC1=CN=C2C(=C1C)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 126613-06-7
CAS Name: trifluoromethanesulfonic acid [1-[2-(trifluoromethylsulfonyloxy)-1-naphthalenyl]-2-naphthalenyl] ester
OPENEYE Name: [1-[2-(trifluoromethylsulfonyloxy)-1-naphthyl]-2-naphthyl] trifluoromethanesulfonate
IUPAC Name: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
SYSTEMATIC NAME: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C22H12F6O6S2
MOLECULAR WEIGHT: 550.447499
SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Structure:
CAS RN: 170806-10-7
CAS Name: 6,7-dichloro-3-methyl-2-(methylthio)-4-oxidoquinoxalin-1-ium 1-oxide
OPENEYE Name: 6,7-dichloro-3-methyl-2-methylsulfanyl-4-oxido-quinoxalin-1-ium 1-oxide
IUPAC Name: 6,7-dichloro-3-methyl-2-methylsulfanyl-4-oxidoquinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 6,7-bis(chloranyl)-3-methyl-2-methylsulfanyl-4-oxidanidyl-quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C10H8Cl2N2O2S
MOLECULAR WEIGHT: 291.15372
SMILES: CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC
Structure:
CAS RN: 163551-96-0
CAS Name: N,N-dimethyl-2-[4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy]ethanamine
OPENEYE Name: N,N-dimethyl-2-[4-(1-methyl-2-phenyl-indolizin-3-yl)phenoxy]ethanamine
IUPAC Name: N,N-dimethyl-2-[4-(1-methyl-2-phenylindolizin-3-yl)phenoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(1-methyl-2-phenyl-indolizin-3-yl)phenoxy]ethanamine
MOLECULAR FORMULA: C25H26N2O
MOLECULAR WEIGHT: 370.48674
SMILES: CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C
Structure:
CAS RN: 41286-86-6
CAS Name: 2-methylsulfonyl-3,7-dihydropurin-6-one
OPENEYE Name: 2-methylsulfonyl-3,7-dihydropurin-6-one
IUPAC Name: 2-methylsulfonyl-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-methylsulfonyl-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C6H6N4O3S
MOLECULAR WEIGHT: 214.20184
SMILES: CS(=O)(=O)C1=NC(=O)C2=C(N1)N=CN2
Structure:
CAS RN: 175178-82-2
CAS Name: 2-methyl-5H-oxazolo[4,5-c]quinolin-4-one
OPENEYE Name: 2-methyl-5H-oxazolo[4,5-c]quinolin-4-one
IUPAC Name: 2-methyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SYSTEMATIC NAME: 2-methyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: CC1=NC2=C(O1)C3=CC=CC=C3NC2=O
Structure:
CAS RN: 41219-16-3
CAS Name: (2,3,4-trimethoxyphenyl)methanamine
OPENEYE Name: (2,3,4-trimethoxyphenyl)methanamine
IUPAC Name: (2,3,4-trimethoxyphenyl)methanamine
SYSTEMATIC NAME: (2,3,4-trimethoxyphenyl)methanamine
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: COC1=C(C(=C(C=C1)CN)OC)OC
Structure:
CAS RN: 6879-81-8
CAS Name: (5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydro[2]benzopyrano[3,4-g]indol-7-one
OPENEYE Name: (5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
IUPAC Name: (5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
SYSTEMATIC NAME: (5aR,11bS,11cS)-10-methoxy-1-methyl-9-oxidanyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4C(=O)O3)O)OC
Structure:
CAS RN: 128-13-2
CAS Name: (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(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: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 57903-15-8
CAS Name: carbonic acid (2,5-dioxo-1-pyrrolidinyl) 2-methylsulfonylethyl ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-methylsulfonylethyl carbonate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-methylsulfonylethyl carbonate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-methylsulfonylethyl carbonate
MOLECULAR FORMULA: C8H11NO7S
MOLECULAR WEIGHT: 265.24044
SMILES: CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O
Structure:
CAS RN: 16239-03-5
CAS Name: 2-[(2-nitrophenyl)thio]-1,1-dioxo-1,2-benzothiazol-3-one
OPENEYE Name: 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one
IUPAC Name: 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(2-nitrophenyl)sulfanyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C13H8N2O5S2
MOLECULAR WEIGHT: 336.34302
SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)SC3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 54714-10-2
CAS Name: 4-hydroxy-1,1-dioxo-2,5-diphenyl-3-thiophenone
OPENEYE Name: 4-hydroxy-1,1-dioxo-2,5-diphenyl-thiophen-3-one
IUPAC Name: 4-hydroxy-1,1-dioxo-2,5-diphenylthiophen-3-one
SYSTEMATIC NAME: 4-oxidanyl-1,1-bis(oxidanylidene)-2,5-diphenyl-thiophen-3-one
MOLECULAR FORMULA: C16H12O4S
MOLECULAR WEIGHT: 300.32908
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C(S2(=O)=O)C3=CC=CC=C3)O
Structure:
CAS RN: 55100-59-9
CAS Name: 4-hydroxy-1,1-dioxo-2,5-diphenyl-3-thiophenone
OPENEYE Name: 4-hydroxy-1,1-dioxo-2,5-diphenyl-thiophen-3-one
IUPAC Name: 4-hydroxy-1,1-dioxo-2,5-diphenylthiophen-3-one
SYSTEMATIC NAME: 4-oxidanyl-1,1-bis(oxidanylidene)-2,5-diphenyl-thiophen-3-one
MOLECULAR FORMULA: C16H12O4S
MOLECULAR WEIGHT: 300.32908
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C(S2(=O)=O)C3=CC=CC=C3)O
Structure:
CAS RN: 77244-88-3
CAS Name: 8-[(3-nitro-1,2,4-triazol-1-yl)sulfonyl]quinoline
OPENEYE Name: 8-[(3-nitro-1,2,4-triazol-1-yl)sulfonyl]quinoline
IUPAC Name: 8-[(3-nitro-1,2,4-triazol-1-yl)sulfonyl]quinoline
SYSTEMATIC NAME: 8-[(3-nitro-1,2,4-triazol-1-yl)sulfonyl]quinoline
MOLECULAR FORMULA: C11H7N5O4S
MOLECULAR WEIGHT: 305.26938
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)N3C=NC(=N3)[N+](=O)[O-])N=CC=C2
Structure:
CAS RN: 145100-51-2
CAS Name: N-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
OPENEYE Name: N-(5-chloro-2-pyridyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
IUPAC Name: N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SYSTEMATIC NAME: N-(5-chloranylpyridin-2-yl)-1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
MOLECULAR FORMULA: C7H3ClF6N2O4S2
MOLECULAR WEIGHT: 392.683139
SMILES: C1=CC(=NC=C1Cl)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Structure:
CAS RN: 87420-26-6
CAS Name: N-(3,5-dimethylphenyl)-N-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
OPENEYE Name: N-(3,5-dimethylphenyl)-N-(3-hydroxy-4,7,7-trimethyl-norbornan-2-yl)benzenesulfonamide
IUPAC Name: N-(3,5-dimethylphenyl)-N-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-N-(4,7,7-trimethyl-3-oxidanyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
MOLECULAR FORMULA: C24H31NO3S
MOLECULAR WEIGHT: 413.57284
SMILES: CC1=CC(=CC(=C1)N(C2C3CCC(C2O)(C3(C)C)C)S(=O)(=O)C4=CC=CC=C4)C
Structure:
CAS RN: 160031-36-7
CAS Name: 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenyl-1-piperazinyl)butyl]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-2,4-bis(oxidanylidene)-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C31H35N5O4
MOLECULAR WEIGHT: 541.6407
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=O)N2CCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C
Structure:
CAS RN: 10470-83-4
CAS Name: quinoline-5,8-dione
OPENEYE Name: quinoline-5,8-dione
IUPAC Name: quinoline-5,8-dione
SYSTEMATIC NAME: quinoline-5,8-dione
MOLECULAR FORMULA: C9H5NO2
MOLECULAR WEIGHT: 159.1415
SMILES: C1=CC2=C(C(=O)C=CC2=O)N=C1
Structure:
CAS RN: 500298-30-6
CAS Name: 3,4,5-trihydroxy-N-[4-[[4-[[oxo-(3,4,5-trihydroxyphenyl)methyl]amino]cyclohexyl]methyl]cyclohexyl]benzamide
OPENEYE Name: 3,4,5-trihydroxy-N-[4-[[4-[(3,4,5-trihydroxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
IUPAC Name: 3,4,5-trihydroxy-N-[4-[[4-[(3,4,5-trihydroxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3,4,5-tris(oxidanyl)-N-[4-[[4-[[3,4,5-tris(oxidanyl)phenyl]carbonylamino]cyclohexyl]methyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C27H34N2O8
MOLECULAR WEIGHT: 514.56746
SMILES: C1CC(CCC1CC2CCC(CC2)NC(=O)C3=CC(=C(C(=C3)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 146065-61-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H26N4O2
MOLECULAR WEIGHT: 414.49954
SMILES: C1CN=CC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4C=NCCN1
Structure:
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