CAS RN: 94-92-8
CAS Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide
OPENEYE Name: 3-chloro-N,N-bis(2-chloroethyl)propanamidine
IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide
SYSTEMATIC NAME: 3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide
MOLECULAR FORMULA: C7H13Cl3N2
MOLECULAR WEIGHT: 231.55052
SMILES: C(CCl)C(=N)N(CCCl)CCCl
Structure:
CAS RN: 89353-72-0
CAS Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide
OPENEYE Name: 3-chloro-N,N-bis(2-chloroethyl)propanamidine
IUPAC Name: 3-chloro-N,N-bis(2-chloroethyl)propanimidamide
SYSTEMATIC NAME: 3-chloranyl-N,N-bis(2-chloroethyl)propanimidamide
MOLECULAR FORMULA: C7H13Cl3N2
MOLECULAR WEIGHT: 231.55052
SMILES: C(CCl)C(=N)N(CCCl)CCCl
Structure:
CAS RN: 94856-39-0
CAS Name: 1,8-dichloropyrene
OPENEYE Name: 1,8-dichloropyrene
IUPAC Name: 1,8-dichloropyrene
SYSTEMATIC NAME: 1,8-bis(chloranyl)pyrene
MOLECULAR FORMULA: C16H8Cl2
MOLECULAR WEIGHT: 271.14072
SMILES: C1=CC2=C3C(=C(C=C2)Cl)C=CC4=C(C=CC1=C43)Cl
Structure:
CAS RN: 94850-11-0
CAS Name: 1,3-dichloropyrene
OPENEYE Name: 1,3-dichloropyrene
IUPAC Name: 1,3-dichloropyrene
SYSTEMATIC NAME: 1,3-bis(chloranyl)pyrene
MOLECULAR FORMULA: C16H8Cl2
MOLECULAR WEIGHT: 271.14072
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)Cl)Cl
Structure:
CAS RN: 94743-44-9
CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]propanoic acid [(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
IUPAC Name: [(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
SYSTEMATIC NAME: [(5S,10S,13S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
MOLECULAR FORMULA: C25H38ClN3O5
MOLECULAR WEIGHT: 496.03932
SMILES: C[C@@H](C(=O)O[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 6851-27-0
CAS Name: (1S)-1-cyclopent-2-enecarboxylic acid
OPENEYE Name: (1S)-cyclopent-2-ene-1-carboxylic acid
IUPAC Name: (1S)-cyclopent-2-ene-1-carboxylic acid
SYSTEMATIC NAME: (1S)-cyclopent-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C1C[C@@H](C=C1)C(=O)O
Structure:
CAS RN: 67880-30-2
CAS Name: 4-hydroxy-4-phenylhexanamide
OPENEYE Name: 4-hydroxy-4-phenyl-hexanamide
IUPAC Name: 4-hydroxy-4-phenylhexanamide
SYSTEMATIC NAME: 4-oxidanyl-4-phenyl-hexanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCC(CCC(=O)N)(C1=CC=CC=C1)O
Structure:
CAS RN: 96-70-8
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-phenylpropanoic acid [2-(methylamino)-1-oxoethyl] ester
OPENEYE Name: [2-(methylamino)acetyl] (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate
IUPAC Name: [2-(methylamino)acetyl] (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: 2-(methylamino)ethanoyl (2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C27H37N7O6
MOLECULAR WEIGHT: 555.62598
SMILES: CNCC(=O)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 966-90-5
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-pyrazolo[3,4-e][1,3]oxazine-5,7-dione
OPENEYE Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazine-5,7-dione
IUPAC Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazine-5,7-dione
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-pyrazolo[3,4-e][1,3]oxazine-5,7-dione
MOLECULAR FORMULA: C10H11N3O7
MOLECULAR WEIGHT: 285.21024
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=O)NC(=O)O3)O)O)O
Structure:
CAS RN: 90520-42-6
CAS Name: (2R,3R,4S,5R,6R)-2-[[(10S,13R,14R,17S)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6R)-2-[[(10S,13R,14R,17S)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6R)-2-[[(10S,13R,14R,17S)-14-amino-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-[[(10S,13R,14R,17S)-14-azanyl-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C27H47NO6
MOLECULAR WEIGHT: 481.66518
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@]3(C(C2)CCC4C3CC[C@]5([C@]4(CC[C@@H]5C(C)O)N)C)C)O)O)O
Structure:
CAS RN: 135354-02-8
CAS Name: 1-[2-(2-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
OPENEYE Name: 1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
IUPAC Name: 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C24H22F3N
MOLECULAR WEIGHT: 381.43339
SMILES: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 90494-79-4
CAS Name: 1-[2-(2-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C24H23ClF3N
MOLECULAR WEIGHT: 417.89433
SMILES: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3.Cl
Structure:
CAS RN: 94516-26-4
CAS Name: (1S,2R,3S,5S)-3-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
OPENEYE Name: (1S,2R,3S,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
IUPAC Name: (1S,2R,3S,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SYSTEMATIC NAME: (1S,2R,3S,5S)-3-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: C1[C@H]([C@@H]([C@@H]([C@H]1N2C=CC3=C2N=CN=C3N)O)O)CO
Structure:
CAS RN: 94473-25-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16BrN3O2S
MOLECULAR WEIGHT: 370.26474
SMILES: C1CN2[C@@H]([C@@H](CSCO2)N)C3=C1C4=C(N3)C=CC(=C4Br)O
Structure:
CAS RN: 68310-88-3
CAS Name: acetic acid (5-fluoro-12-methyl-7-benzo[a]anthracenyl)methyl ester
OPENEYE Name: (5-fluoro-12-methyl-benzo[a]anthracen-7-yl)methyl acetate
IUPAC Name: (5-fluoro-12-methylbenzo[a]anthracen-7-yl)methyl acetate
SYSTEMATIC NAME: (5-fluoranyl-12-methyl-benzo[a]anthracen-7-yl)methyl ethanoate
MOLECULAR FORMULA: C22H17FO2
MOLECULAR WEIGHT: 332.367583
SMILES: CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)COC(=O)C)F
Structure:
CAS RN: 94386-34-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13NO5
MOLECULAR WEIGHT: 347.32092
SMILES: C1=CC2=CC3=C(C4C(O4)[C@H]([C@@H]3O)O)C5=C2C6=C1C=CC(=C6C=C5)[N+](=O)[O-]
Structure:
CAS RN: 151592-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13NO5
MOLECULAR WEIGHT: 347.32092
SMILES: C1=CC2=CC3=C(C4C(O4)[C@H]([C@@H]3O)O)C5=C2C6=C1C=CC(=C6C=C5)[N+](=O)[O-]
Structure:
CAS RN: 94343-25-6
CAS Name: 1-(6-aminopurin-9-yl)-3-azido-2-propanol
OPENEYE Name: 1-(6-aminopurin-9-yl)-3-azido-propan-2-ol
IUPAC Name: 1-(6-aminopurin-9-yl)-3-azidopropan-2-ol
SYSTEMATIC NAME: 1-(6-aminopurin-9-yl)-3-azido-propan-2-ol
MOLECULAR FORMULA: C8H10N8O
MOLECULAR WEIGHT: 234.218
SMILES: C1=NC2=C(C(=N1)N)N=CN2CC(CN=[N+]=[N-])O
Structure:
CAS RN: 13400-10-7
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O13P3
MOLECULAR WEIGHT: 507.181023
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O
Structure:
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