CAS RN: 2641-81-8
CAS Name: [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-2-oxanyl]methyl phosphate
OPENEYE Name: [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-tetrahydropyran-2-yl]methyl phosphate
IUPAC Name: [(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-3,4,5-tris(oxidanyl)-6-oxidanylidene-oxan-2-yl]methyl phosphate
MOLECULAR FORMULA: C6H9O9P-2
MOLECULAR WEIGHT: 256.104021
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)OP(=O)([O-])[O-]
CAS RN: 7277-98-7
CAS Name: [(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate
OPENEYE Name: [(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
IUPAC Name: [(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C17H25N3O17P2-2
MOLECULAR WEIGHT: 605.337822
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
CAS RN: 39391-39-4
CAS Name: (2R)-2-ammonio-4-[4-[(1Z)-2-[[(3S)-1-[(R)-carboxylato-(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-1-hydroxyimino-2-oxoethyl]phenoxy]butanoate
OPENEYE Name: (2R)-2-azaniumyl-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxylato-(4-hydroxyphenyl)methyl]-2-oxo-azetidin-3-yl]carbamoyl]-N-hydroxy-carbonimidoyl]phenoxy]butanoate
IUPAC Name: (2R)-2-azaniumyl-4-[4-[(Z)-C-[[(3S)-1-[(R)-carboxylato-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-4-[4-[(Z)-C-[[(3S)-1-[(1R)-1-(4-hydroxyphenyl)-2-oxidanidyl-2-oxidanylidene-ethyl]-2-oxidanylidene-azetidin-3-yl]carbamoyl]-N-oxidanyl-carbonimidoyl]phenoxy]butanoate
MOLECULAR FORMULA: C23H23N4O9-
MOLECULAR WEIGHT: 499.45012
SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)[O-])NC(=O)/C(=N\O)/C3=CC=C(C=C3)OCC[C@H](C(=O)[O-])[NH3+]
CAS RN: 13870-90-1
CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2S)-1-[[1-oxo-3-[(1R,2R,3S,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-ox
OPENEYE Name: cobaltic; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1S)-1-methyl-2-[3-[(1R,2R,3S,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18
IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(1R,2R,3S,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; cobalt(3+); [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2S)-1-[3-[(1R,2R,3S,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxida
MOLECULAR FORMULA: C72H100CoN18O17P
MOLECULAR WEIGHT: 1579.581761
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C
CAS RN: 127689-48-9
CAS Name: 2-[2-[(2-ammonio-2-carboxylatoethyl)amino]-2-oxoethyl]-4-[2-[(4-carboxylato-1,4-dioxobutyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate
OPENEYE Name: 2-[2-[(2-azaniumyl-2-carboxylato-ethyl)amino]-2-oxo-ethyl]-4-[2-[(4-carboxylato-4-oxo-butanoyl)amino]ethylamino]-2-hydroxy-4-oxo-butanoate
IUPAC Name: 2-[2-[(2-azaniumyl-2-carboxylatoethyl)amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate
SYSTEMATIC NAME: 2-[2-[(2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl)amino]-2-oxidanylidene-ethyl]-4-[2-[[5-oxidanidyl-4,5-bis(oxidanylidene)pentanoyl]amino]ethylamino]-2-oxidanyl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C16H22N4O11-2
MOLECULAR WEIGHT: 446.36608
SMILES: C(CC(=O)NCCNC(=O)CC(CC(=O)NCC(C(=O)[O-])[NH3+])(C(=O)[O-])O)C(=O)C(=O)[O-]
CAS RN: 543-18-0
CAS Name: 2-[[amino(ammonio)methylidene]amino]ethanesulfonate
OPENEYE Name: 2-[[amino(azaniumyl)methylene]amino]ethanesulfonate
IUPAC Name: 2-[[amino(azaniumyl)methylidene]amino]ethanesulfonate
SYSTEMATIC NAME: 2-[[azaniumyl(azanyl)methylidene]amino]ethanesulfonate
MOLECULAR FORMULA: C3H9N3O3S
MOLECULAR WEIGHT: 167.18686
SMILES: C(CS(=O)(=O)[O-])N=C([NH3+])N
CAS RN: 1259952-24-3
CAS Name: 4-methyl-2,3-dihydro-1H-quinoxaline dihydrochloride
OPENEYE Name: 4-methyl-2,3-dihydro-1H-quinoxaline dihydrochloride
IUPAC Name: 4-methyl-2,3-dihydro-1H-quinoxaline dihydrochloride
SYSTEMATIC NAME: 4-methyl-2,3-dihydro-1H-quinoxaline dihydrochloride
MOLECULAR FORMULA: C9H14Cl2N2
MOLECULAR WEIGHT: 221.12686
SMILES: CN1CCNC2=CC=CC=C21.Cl.Cl
CAS RN: 103500-22-7
CAS Name: N-[1-(hydroxymethyl)cyclopropyl]carbamic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
IUPAC Name: 2-phenylethyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
SYSTEMATIC NAME: 2-phenylethyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C1CC1(CO)NC(=O)OCCC2=CC=CC=C2
CAS RN: 912852-58-5
CAS Name: 1-iodo-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
OPENEYE Name: 1-iodo-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
IUPAC Name: 1-iodo-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
SYSTEMATIC NAME: 1-iodanyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
MOLECULAR FORMULA: C23H35I
MOLECULAR WEIGHT: 438.42847
SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)I
CAS RN: 640721-49-9
CAS Name: 4-bromo-5,6-dimethyl-1H-pyridin-2-one
OPENEYE Name: 4-bromo-5,6-dimethyl-1H-pyridin-2-one
IUPAC Name: 4-bromo-5,6-dimethyl-1H-pyridin-2-one
SYSTEMATIC NAME: 4-bromanyl-5,6-dimethyl-1H-pyridin-2-one
MOLECULAR FORMULA: C7H8BrNO
MOLECULAR WEIGHT: 202.04852
SMILES: CC1=C(NC(=O)C=C1Br)C
CAS RN: 870067-55-3
CAS Name: 1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone
OPENEYE Name: 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
IUPAC Name: 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SYSTEMATIC NAME: 1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
MOLECULAR FORMULA: C18H22BNO3
MOLECULAR WEIGHT: 311.18318
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(C=C2)CC3=CC=CC=C3
CAS RN: 946136-72-7
CAS Name: 2-chloro-5-nitro-4-pyridinecarboxaldehyde
OPENEYE Name: 2-chloro-5-nitro-pyridine-4-carbaldehyde
IUPAC Name: 2-chloro-5-nitropyridine-4-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-5-nitro-pyridine-4-carbaldehyde
MOLECULAR FORMULA: C6H3ClN2O3
MOLECULAR WEIGHT: 186.55262
SMILES: C1=C(C(=CN=C1Cl)[N+](=O)[O-])C=O
CAS RN: 1032943-43-3
CAS Name: 4-bromo-1H-pyrazolo[3,4-c]pyridine
OPENEYE Name: 4-bromo-1H-pyrazolo[3,4-c]pyridine
IUPAC Name: 4-bromo-1H-pyrazolo[3,4-c]pyridine
SYSTEMATIC NAME: 4-bromanyl-1H-pyrazolo[3,4-c]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=C2C(=C(C=N1)Br)C=NN2
CAS RN: 1187830-85-8
CAS Name: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
OPENEYE Name: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
IUPAC Name: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
MOLECULAR FORMULA: C6H10ClN3
MOLECULAR WEIGHT: 159.6167
SMILES: C1CNCC2=C1NN=C2.Cl
CAS RN: 675109-26-9
CAS Name: 6-bromo-1-isoindolone
OPENEYE Name: 6-bromoisoindol-1-one
IUPAC Name: 6-bromoisoindol-1-one
SYSTEMATIC NAME: 6-bromanylisoindol-1-one
MOLECULAR FORMULA: C8H4BrNO
MOLECULAR WEIGHT: 210.02746
SMILES: C1=CC2=C(C=C1Br)C(=O)N=C2
CAS RN: 179324-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H29BF3NO4
MOLECULAR WEIGHT: 379.22267
SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)N.C(=O)(C(F)(F)F)O
CAS RN: 885331-17-9
CAS Name: 2-oxazolylmethanamine hydrochloride
OPENEYE Name: oxazol-2-ylmethanamine hydrochloride
IUPAC Name: 1,3-oxazol-2-ylmethanamine hydrochloride
SYSTEMATIC NAME: 1,3-oxazol-2-ylmethanamine hydrochloride
MOLECULAR FORMULA: C4H7ClN2O
MOLECULAR WEIGHT: 134.56418
SMILES: C1=COC(=N1)CN.Cl
CAS RN: 1086398-04-0
CAS Name: 2,8-diazaspiro[3.4]octane-8-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,8-diazaspiro[3.4]octane-8-carboxylate
IUPAC Name: tert-butyl 2,8-diazaspiro[3.4]octane-8-carboxylate
SYSTEMATIC NAME: tert-butyl 2,8-diazaspiro[3.4]octane-8-carboxylate
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC(C)(C)OC(=O)N1CCCC12CNC2
CAS RN: 174-80-1
CAS Name: 2-oxa-6-thiaspiro[3.3]heptane
OPENEYE Name: 2-oxa-6-thiaspiro[3.3]heptane
IUPAC Name: 2-oxa-6-thiaspiro[3.3]heptane
SYSTEMATIC NAME: 2-oxa-6-thiaspiro[3.3]heptane
MOLECULAR FORMULA: C5H8OS
MOLECULAR WEIGHT: 116.18142
SMILES: C1C2(CO1)CSC2
CAS RN: 1213103-28-6
CAS Name: (4R)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: (4R)-5,7-difluorochroman-4-amine
IUPAC Name: (4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: (4R)-5,7-bis(fluoranyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: C1COC2=CC(=CC(=C2[C@@H]1N)F)F
CAS RN: 96896-09-2
CAS Name: 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
OPENEYE Name: 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
IUPAC Name: 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
SYSTEMATIC NAME: 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: C1C2CNCC2CC1=O
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