CAS RN: 85770-95-2
CAS Name: (2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[8-chloranyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C24H21ClFN3O7
MOLECULAR WEIGHT: 517.890843
SMILES: C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Structure:
CAS RN: 85760-90-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CCN1CCOC2[C@H]1CC3=CNC4=CC=CC2=C34
Structure:
CAS RN: 43115-62-4
CAS Name: 2-(chloromethyl)-1-(3-chloropropyl)piperidine
OPENEYE Name: 2-(chloromethyl)-1-(3-chloropropyl)piperidine
IUPAC Name: 2-(chloromethyl)-1-(3-chloropropyl)piperidine
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-2-(chloromethyl)piperidine
MOLECULAR FORMULA: C9H17Cl2N
MOLECULAR WEIGHT: 210.14398
SMILES: C1CCN(C(C1)CCl)CCCCl
Structure:
CAS RN: 81226-60-0
CAS Name: 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol
OPENEYE Name: 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
IUPAC Name: 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
MOLECULAR FORMULA: C20H21ClN2O
MOLECULAR WEIGHT: 340.84654
SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43
Structure:
CAS RN: 81213-52-7
CAS Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-[(methylsulfonylthio)methyl]pyrrole
OPENEYE Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole
SYSTEMATIC NAME: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole
MOLECULAR FORMULA: C10H18NO3S2
MOLECULAR WEIGHT: 264.38482
SMILES: CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
Structure:
CAS RN: 856696-09-8
CAS Name: 2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-5-tetrazolyl]pyridine
OPENEYE Name: 2-[1-(2,4,6-triisopropylphenyl)sulfonyltetrazol-5-yl]pyridine
IUPAC Name: 2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazol-5-yl]pyridine
SYSTEMATIC NAME: 2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,3,4-tetrazol-5-yl]pyridine
MOLECULAR FORMULA: C21H27N5O2S
MOLECULAR WEIGHT: 413.53638
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C(=NN=N2)C3=CC=CC=N3)C(C)C
Structure:
CAS RN: 81185-85-5
CAS Name: 7-[4-(2-methoxyphenyl)-1-piperazinyl]heptanoic acid ethyl ester
OPENEYE Name: ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
IUPAC Name: ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
SYSTEMATIC NAME: ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]heptanoate
MOLECULAR FORMULA: C20H32N2O3
MOLECULAR WEIGHT: 348.47968
SMILES: CCOC(=O)CCCCCCN1CCN(CC1)C2=CC=CC=C2OC
Structure:
CAS RN: 92982-25-7
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-imidazole
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-imidazole
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CCN1C=CN=C1CC2COC3=CC=CC=C3O2
Structure:
CAS RN: 81167-16-0
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-imidazole
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-imidazole
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CCN1C=CN=C1CC2COC3=CC=CC=C3O2
Structure:
CAS RN: 85592-61-6
CAS Name: (2R,3S)-3-(9-purinyl)-2-nonanol
OPENEYE Name: (2R,3S)-3-purin-9-ylnonan-2-ol
IUPAC Name: (2R,3S)-3-purin-9-ylnonan-2-ol
SYSTEMATIC NAME: (2R,3S)-3-purin-9-ylnonan-2-ol
MOLECULAR FORMULA: C14H22N4O
MOLECULAR WEIGHT: 262.35068
SMILES: CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=CN=CN=C21
Structure:
CAS RN: 85567-59-5
CAS Name: 1,2-dihydronaphthalen-2-amine
OPENEYE Name: 1,2-dihydronaphthalen-2-amine
IUPAC Name: 1,2-dihydronaphthalen-2-amine
SYSTEMATIC NAME: 1,2-dihydronaphthalen-2-amine
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C1C(C=CC2=CC=CC=C21)N
Structure:
CAS RN: 81069-03-6
CAS Name: 1-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C13H21N2O3
MOLECULAR WEIGHT: 253.31744
SMILES: CC1(CC(CC(N1[O])(C)C)N2C(=O)CCC2=O)C
Structure:
CAS RN: 81068-96-4
CAS Name: 1-(2-chloroethyl)-3-[2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-(methylthio)ethyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-methylsulfanyl-ethyl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylsulfanylethyl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methylsulfanyl-ethyl]-1-nitroso-urea
MOLECULAR FORMULA: C10H13ClFN5O4S
MOLECULAR WEIGHT: 353.757723
SMILES: CSC(CNC(=O)N(CCCl)N=O)N1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 85540-96-1
CAS Name: 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
OPENEYE Name: 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
IUPAC Name: 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
SYSTEMATIC NAME: 2-(2-dodecoxyethoxy)ethyl 2-(4-oxidanylidene-3H-pyridin-1-ium-1-yl)ethyl phosphite
MOLECULAR FORMULA: C23H42NO6P
MOLECULAR WEIGHT: 459.556441
SMILES: CCCCCCCCCCCCOCCOCCOP([O-])OCC[N+]1=CCC(=O)C=C1
Structure:
CAS RN: 85474-80-2
CAS Name: (5R,6R)-3-(3-aminopropylthio)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-3-(3-aminopropylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-3-(3-aminopropylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-3-(3-azanylpropylsulfanyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C11H16N2O4S2
MOLECULAR WEIGHT: 304.38574
SMILES: C[C@H]([C@H]1[C@@H]2N(C1=O)C(=C(S2)SCCCN)C(=O)O)O
Structure:
CAS RN: 85473-31-0
CAS Name: 2-(2-naphthalenyloxy)acetic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-(2-naphthyloxy)acetate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C16H13NO5
MOLECULAR WEIGHT: 299.27812
SMILES: C1CC(=O)N(C1=O)OC(=O)COC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 85455-74-9
CAS Name: [(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-4-hydroxy-2-oxolanyl]methoxyphosphonamidic acid
OPENEYE Name: [(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-4-hydroxy-tetrahydrofuran-2-yl
IUPAC Name: [(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-hydroxyoxolan-2-yl]methoxyphosphonamidic acid
SYSTEMATIC NAME: [(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-azanyl-phosphoryl]oxy-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-oxidanyl-oxolan-2-yl]methoxyphosphonamid
MOLECULAR FORMULA: C30H39N17O14P2
MOLECULAR WEIGHT: 923.683682
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@@H]4[C@H](O[C@H]([C@@]4(O)OP(=O)(N)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)O)O)N8C=NC9=C8N=CN=C9N)COP(=O)(N)O)O)O
Structure:
CAS RN: 80970-04-3
CAS Name: (2S)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-4-methyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C16H23NO3S
MOLECULAR WEIGHT: 309.42372
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS
Structure:
CAS RN: 80944-67-8
CAS Name: 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
OPENEYE Name: 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
IUPAC Name: 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
SYSTEMATIC NAME: 6-[2-azanylethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
MOLECULAR FORMULA: C12H16N4O2
MOLECULAR WEIGHT: 248.28104
SMILES: CCN(CCN)C1=CC2=C(C=C1)C(=O)NNC2=O
Structure:
CAS RN: 80900-78-3
CAS Name: 2-[3-(mercaptomethyl)-2-oxo-1-piperidinyl]acetic acid
OPENEYE Name: 2-[2-oxo-3-(sulfanylmethyl)-1-piperidyl]acetic acid
IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-3-(sulfanylmethyl)piperidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C8H13NO3S
MOLECULAR WEIGHT: 203.25872
SMILES: C1CC(C(=O)N(C1)CC(=O)O)CS
Structure:
CAS RN: 85368-95-2
CAS Name: (8S,9S,10R,14S,17S)-17-acetyl-10-methyl-13-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,14S,17S)-17-acetyl-10-methyl-13-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,14S,17S)-17-acetyl-10-methyl-13-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,14S,17S)-17-ethanoyl-10-methyl-13-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H30O2
MOLECULAR WEIGHT: 338.4831
SMILES: CC(=O)[C@H]1CC[C@@H]2C1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CC#C
Structure:
CAS RN: 80894-73-1
CAS Name: (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-oxoethyl]-2-(methanesulfonamido)hexanamide
OPENEYE Name: (2R)-N-[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-2-oxo-ethyl]-2-(methanesulfonamido)hexanamide
IUPAC Name: (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-oxoethyl]-2-(methanesulfonamido)hexanamide
SYSTEMATIC NAME: (2R)-N-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-oxidanylidene-ethyl]-2-(methylsulfonylamino)hexanamide
MOLECULAR FORMULA: C21H34N8O7S
MOLECULAR WEIGHT: 542.60906
SMILES: CCCC[C@H](C(=O)NCC(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C
Structure:
No comments:
Post a Comment