CAS RN: 67106-14-3
CAS Name: 4-hydroxy-2,5-diphenylcyclopent-4-ene-1,3-dione
OPENEYE Name: 4-hydroxy-2,5-diphenyl-cyclopent-4-ene-1,3-dione
IUPAC Name: 4-hydroxy-2,5-diphenylcyclopent-4-ene-1,3-dione
SYSTEMATIC NAME: 4-oxidanyl-2,5-diphenyl-cyclopent-4-ene-1,3-dione
MOLECULAR FORMULA: C17H12O3
MOLECULAR WEIGHT: 264.27538
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C(C2=O)O)C3=CC=CC=C3
Structure:
CAS RN: 41675-65-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18N4O2
MOLECULAR WEIGHT: 274.31832
SMILES: CC(C)(C)C1=C2C(=C(C3=NN=NN23)C(C)(C)C)OC1=O
Structure:
CAS RN: 56908-72-6
CAS Name: 1-methyl-2,5-dihydropyrazolo[3,4-c]quinolin-4-one
OPENEYE Name: 1-methyl-2,5-dihydropyrazolo[3,4-c]quinolin-4-one
IUPAC Name: 1-methyl-2,5-dihydropyrazolo[3,4-c]quinolin-4-one
SYSTEMATIC NAME: 1-methyl-2,5-dihydropyrazolo[3,4-c]quinolin-4-one
MOLECULAR FORMULA: C11H9N3O
MOLECULAR WEIGHT: 199.20866
SMILES: CC1=C2C3=CC=CC=C3NC(=O)C2=NN1
Structure:
CAS RN: 73198-04-6
CAS Name: 3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
OPENEYE Name: 3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
IUPAC Name: 3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
SYSTEMATIC NAME: 3-oxidanylidene-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: C1CC(=O)N2C1C3=C(CC2C(=O)O)C4=CC=CC=C4N3
Structure:
CAS RN: 59444-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: CC1C2CCC3(C4C(O4)C(=O)C5(C3(C2OC1=O)O5)C)C
Structure:
CAS RN: 59553-50-3
CAS Name: 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
OPENEYE Name: 2-(4a,8-dimethyl-7-oxo-decalin-2-yl)propanoic acid
IUPAC Name: 2-(4a,8-dimethyl-7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
SYSTEMATIC NAME: 2-(4a,8-dimethyl-7-oxidanylidene-1,2,3,4,5,6,8,8a-octahydronaphthalen-2-yl)propanoic acid
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CC1C2CC(CCC2(CCC1=O)C)C(C)C(=O)O
Structure:
CAS RN: 61837-26-1
CAS Name: 2-amino-5-(1-aziridinyl)-4-nitrobenzamide
OPENEYE Name: 2-amino-5-(aziridin-1-yl)-4-nitro-benzamide
IUPAC Name: 2-amino-5-(aziridin-1-yl)-4-nitrobenzamide
SYSTEMATIC NAME: 2-azanyl-5-(aziridin-1-yl)-4-nitro-benzamide
MOLECULAR FORMULA: C9H10N4O3
MOLECULAR WEIGHT: 222.2007
SMILES: C1CN1C2=C(C=C(C(=C2)C(=O)N)N)[N+](=O)[O-]
Structure:
CAS RN: 27221-03-0
CAS Name: 5-(1-aziridinyl)-N,N-dimethyl-2,4-dinitrobenzamide
OPENEYE Name: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitro-benzamide
IUPAC Name: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide
SYSTEMATIC NAME: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitro-benzamide
MOLECULAR FORMULA: C11H12N4O5
MOLECULAR WEIGHT: 280.23678
SMILES: CN(C)C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CC2
Structure:
CAS RN: 50704-46-6
CAS Name: 5-(2-amino-6-ethoxy-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(2-amino-6-ethoxy-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(2-azanyl-6-ethoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C12H17N5O4
MOLECULAR WEIGHT: 295.29448
SMILES: CCOC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)N
Structure:
CAS RN: 35282-77-0
CAS Name: 4-[4-(iodomethyl)phenyl]azo-N,N-dimethylaniline
OPENEYE Name: 4-[4-(iodomethyl)phenyl]azo-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(iodomethyl)phenyl]diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(iodanylmethyl)phenyl]diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C15H16IN3
MOLECULAR WEIGHT: 365.21211
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CI
Structure:
CAS RN: 38711-37-4
CAS Name: 3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
OPENEYE Name: 3-fluoro-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol
IUPAC Name: 3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SYSTEMATIC NAME: 3-fluoranyl-6-(hydroxymethyl)oxane-2,4,5-triol
MOLECULAR FORMULA: C6H11FO5
MOLECULAR WEIGHT: 182.146943
SMILES: C(C1C(C(C(C(O1)O)F)O)O)O
Structure:
CAS RN: 33670-41-6
CAS Name: 4-[4-[bis(2-chloroethyl)amino]-3,5-diiodophenyl]butanoic acid
OPENEYE Name: 4-[4-[bis(2-chloroethyl)amino]-3,5-diiodo-phenyl]butanoic acid
IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]-3,5-diiodophenyl]butanoic acid
SYSTEMATIC NAME: 4-[4-[bis(2-chloroethyl)amino]-3,5-bis(iodanyl)phenyl]butanoic acid
MOLECULAR FORMULA: C14H17Cl2I2NO2
MOLECULAR WEIGHT: 556.00522
SMILES: C1=C(C=C(C(=C1I)N(CCCl)CCCl)I)CCCC(=O)O
Structure:
CAS RN: 53548-18-8
CAS Name: 1-(2,4-dichlorophenyl)-N-phenylmethanimine oxide
OPENEYE Name: 1-(2,4-dichlorophenyl)-N-phenyl-methanimine oxide
IUPAC Name: 1-(2,4-dichlorophenyl)-N-phenylmethanimine oxide
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-N-phenyl-methanimine oxide
MOLECULAR FORMULA: C13H9Cl2NO
MOLECULAR WEIGHT: 266.12266
SMILES: C1=CC=C(C=C1)[N+](=CC2=C(C=C(C=C2)Cl)Cl)[O-]
Structure:
CAS RN: 3854-24-8
CAS Name: 3-fluoro-N,N-dimethyl-4-[2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: 3-fluoro-N,N-dimethyl-4-[2-(4-quinolyl)vinyl]aniline
IUPAC Name: 3-fluoro-N,N-dimethyl-4-(2-quinolin-4-ylethenyl)aniline
SYSTEMATIC NAME: 3-fluoranyl-N,N-dimethyl-4-(2-quinolin-4-ylethenyl)aniline
MOLECULAR FORMULA: C19H17FN2
MOLECULAR WEIGHT: 292.350083
SMILES: CN(C)C1=CC(=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)F
Structure:
CAS RN: 29453-11-0
CAS Name: N,N'-diethyl-2-butynediamide
OPENEYE Name: N,N'-diethylbut-2-ynediamide
IUPAC Name: N,N'-diethylbut-2-ynediamide
SYSTEMATIC NAME: N,N'-diethylbut-2-ynediamide
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CCNC(=O)C#CC(=O)NCC
Structure:
CAS RN: 1164-43-8
CAS Name: 2-hydroxy-2,2-diphenylethanethioic acid S-[2-(diethylamino)ethyl] ester
OPENEYE Name: S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenyl-ethanethioate
IUPAC Name: S-[2-(diethylamino)ethyl] 2-hydroxy-2,2-diphenylethanethioate
SYSTEMATIC NAME: S-[2-(diethylamino)ethyl] 2-oxidanyl-2,2-diphenyl-ethanethioate
MOLECULAR FORMULA: C20H25NO2S
MOLECULAR WEIGHT: 343.483
SMILES: CCN(CC)CCSC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
Structure:
CAS RN: 63335-14-8
CAS Name: 1,4-dichloro-2,5-bis(chloromethoxy)benzene
OPENEYE Name: 1,4-dichloro-2,5-bis(chloromethoxy)benzene
IUPAC Name: 1,4-dichloro-2,5-bis(chloromethoxy)benzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2,5-bis(chloromethyloxy)benzene
MOLECULAR FORMULA: C8H6Cl4O2
MOLECULAR WEIGHT: 275.94404
SMILES: C1=C(C(=CC(=C1Cl)OCCl)Cl)OCCl
Structure:
CAS RN: 81449-99-2
CAS Name: 5-chloro-1,6-dimethylbenzimidazole
OPENEYE Name: 5-chloro-1,6-dimethyl-benzimidazole
IUPAC Name: 5-chloro-1,6-dimethylbenzimidazole
SYSTEMATIC NAME: 5-chloranyl-1,6-dimethyl-benzimidazole
MOLECULAR FORMULA: C9H9ClN2
MOLECULAR WEIGHT: 180.63416
SMILES: CC1=CC2=C(C=C1Cl)N=CN2C
Structure:
CAS RN: 32793-37-6
CAS Name: 2-methyl-2-butenamide
OPENEYE Name: 2-methylbut-2-enamide
IUPAC Name: 2-methylbut-2-enamide
SYSTEMATIC NAME: 2-methylbut-2-enamide
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CC=C(C)C(=O)N
Structure:
CAS RN: 5204-47-7
CAS Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-N,N-diethyl-2-pteridinamine
OPENEYE Name: 4-[2-[4-(dimethylamino)phenyl]vinyl]-N,N-diethyl-pteridin-2-amine
IUPAC Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-N,N-diethylpteridin-2-amine
SYSTEMATIC NAME: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-N,N-diethyl-pteridin-2-amine
MOLECULAR FORMULA: C20H24N6
MOLECULAR WEIGHT: 348.44476
SMILES: CCN(CC)C1=NC2=NC=CN=C2C(=N1)C=CC3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 10405-52-4
CAS Name: 4-methylbenzenesulfonic acid [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxypropyl] ester
OPENEYE Name: [2-methyl-2-(p-tolylsulfonylamino)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate
IUPAC Name: [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C25H29NO8S3
MOLECULAR WEIGHT: 567.69466
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)(COS(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 32524-43-9
CAS Name: 5-(1-naphthalenylazo)pyrimidine-2,4,6-triamine
OPENEYE Name: 5-(1-naphthylazo)pyrimidine-2,4,6-triamine
IUPAC Name: 5-(naphthalen-1-yldiazenyl)pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-(naphthalen-1-yldiazenyl)pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H13N7
MOLECULAR WEIGHT: 279.29992
SMILES: C1=CC=C2C(=C1)C=CC=C2N=NC3=C(N=C(N=C3N)N)N
Structure:
CAS RN: 32869-13-9
CAS Name: 5-(1-aziridinyl)-N-[4-[2-chloropropyl(ethyl)amino]phenyl]-2,4-dinitrobenzamide
OPENEYE Name: 5-(aziridin-1-yl)-N-[4-[2-chloropropyl(ethyl)amino]phenyl]-2,4-dinitro-benzamide
IUPAC Name: 5-(aziridin-1-yl)-N-[4-[2-chloropropyl(ethyl)amino]phenyl]-2,4-dinitrobenzamide
SYSTEMATIC NAME: 5-(aziridin-1-yl)-N-[4-[2-chloranylpropyl(ethyl)amino]phenyl]-2,4-dinitro-benzamide
MOLECULAR FORMULA: C20H22ClN5O5
MOLECULAR WEIGHT: 447.87218
SMILES: CCN(CC(C)Cl)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC3
Structure:
CAS RN: 7178-16-7
CAS Name: N,N-dimethyl-2-oxo-2-phenyl-1,3-dihydro-[1,3,2]diazaphospholo[4,5-d]pyrimidin-7-amine
OPENEYE Name: N,N-dimethyl-2-oxo-2-phenyl-1,3-dihydro-[1,3,2]diazaphospholo[4,5-d]pyrimidin-7-amine
IUPAC Name: N,N-dimethyl-2-oxo-2-phenyl-1,3-dihydro-[1,3,2]diazaphospholo[4,5-d]pyrimidin-7-amine
SYSTEMATIC NAME: N,N-dimethyl-2-oxidanylidene-2-phenyl-1,3-dihydro-[1,3,2]diazaphospholo[4,5-d]pyrimidin-7-amine
MOLECULAR FORMULA: C12H14N5OP
MOLECULAR WEIGHT: 275.246221
SMILES: CN(C)C1=NC=NC2=C1NP(=O)(N2)C3=CC=CC=C3
Structure:
CAS RN: 24867-33-2
CAS Name: N-(2,4,6-triamino-5-pyrimidinyl)formamide
OPENEYE Name: N-(2,4,6-triaminopyrimidin-5-yl)formamide
IUPAC Name: N-(2,4,6-triaminopyrimidin-5-yl)formamide
SYSTEMATIC NAME: N-[2,4,6-tris(azanyl)pyrimidin-5-yl]methanamide
MOLECULAR FORMULA: C5H8N6O
MOLECULAR WEIGHT: 168.15662
SMILES: C(=O)NC1=C(N=C(N=C1N)N)N
Structure:
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