CAS RN: 873376-29-5
CAS Name: 2-methyl-3-(1-pyrrolidinyl)-1-propanol
OPENEYE Name: 2-methyl-3-pyrrolidin-1-yl-propan-1-ol
IUPAC Name: 2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SYSTEMATIC NAME: 2-methyl-3-pyrrolidin-1-yl-propan-1-ol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(CN1CCCC1)CO
Structure:
CAS RN: 3715-96-6
CAS Name: 2-(2-ethyl-1-imidazolyl)ethanol
OPENEYE Name: 2-(2-ethylimidazol-1-yl)ethanol
IUPAC Name: 2-(2-ethylimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(2-ethylimidazol-1-yl)ethanol
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: CCC1=NC=CN1CCO
Structure:
CAS RN: 938458-93-6
CAS Name: 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
OPENEYE Name: 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methyl-methanamine
IUPAC Name: 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C11H15N3
MOLECULAR WEIGHT: 189.2569
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CNC
Structure:
CAS RN: 885277-90-7
CAS Name: 6-fluoro-2-(2-pyrrolidinyl)-1H-benzimidazole
OPENEYE Name: 6-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
IUPAC Name: 6-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
SYSTEMATIC NAME: 6-fluoranyl-2-pyrrolidin-2-yl-1H-benzimidazole
MOLECULAR FORMULA: C11H12FN3
MOLECULAR WEIGHT: 205.231483
SMILES: C1CC(NC1)C2=NC3=C(N2)C=C(C=C3)F
Structure:
CAS RN: 856286-98-1
CAS Name: 1-(3-methyl-1-piperidinyl)-2-propanone
OPENEYE Name: 1-(3-methyl-1-piperidyl)propan-2-one
IUPAC Name: 1-(3-methylpiperidin-1-yl)propan-2-one
SYSTEMATIC NAME: 1-(3-methylpiperidin-1-yl)propan-2-one
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CC1CCCN(C1)CC(=O)C
Structure:
CAS RN: 221218-33-3
CAS Name: 2-fluoro-4-isocyanato-1-methoxybenzene
OPENEYE Name: 2-fluoro-4-isocyanato-1-methoxy-benzene
IUPAC Name: 2-fluoro-4-isocyanato-1-methoxybenzene
SYSTEMATIC NAME: 2-fluoranyl-4-isocyanato-1-methoxy-benzene
MOLECULAR FORMULA: C8H6FNO2
MOLECULAR WEIGHT: 167.137143
SMILES: COC1=C(C=C(C=C1)N=C=O)F
Structure:
CAS RN: 55100-02-2
CAS Name: 2-methoxy-N-(2-oxolanylmethyl)ethanamine
OPENEYE Name: 2-methoxy-N-(tetrahydrofuran-2-ylmethyl)ethanamine
IUPAC Name: 2-methoxy-N-(oxolan-2-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-methoxy-N-(oxolan-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: COCCNCC1CCCO1
Structure:
CAS RN: 915920-11-5
CAS Name: 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid
OPENEYE Name: 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid
IUPAC Name: 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetic acid
SYSTEMATIC NAME: 2-[(6-fluoranyl-1H-benzimidazol-2-yl)methoxy]ethanoic acid
MOLECULAR FORMULA: C10H9FN2O3
MOLECULAR WEIGHT: 224.188463
SMILES: C1=CC2=C(C=C1F)NC(=N2)COCC(=O)O
Structure:
CAS RN: 1015845-60-9
CAS Name: 2-methoxy-N-[(1-methyl-4-pyrazolyl)methyl]ethanamine
OPENEYE Name: 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
IUPAC Name: 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SYSTEMATIC NAME: 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
MOLECULAR FORMULA: C8H15N3O
MOLECULAR WEIGHT: 169.2242
SMILES: CN1C=C(C=N1)CNCCOC
Structure:
CAS RN: 915924-02-6
CAS Name: 2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetic acid
OPENEYE Name: 2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetic acid
IUPAC Name: 2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetic acid
SYSTEMATIC NAME: 2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]ethanoic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: CC1=C2C(=CC=C1)NC(=N2)COCC(=O)O
Structure:
CAS RN: 1015845-57-4
CAS Name: N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-methoxyethanamine
OPENEYE Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methoxy-ethanamine
IUPAC Name: N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SYSTEMATIC NAME: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methoxy-ethanamine
MOLECULAR FORMULA: C11H21N3O
MOLECULAR WEIGHT: 211.30394
SMILES: CCN1C(=C(C(=N1)C)CNCCOC)C
Structure:
CAS RN: 1130050-35-9
CAS Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuterio-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H18FN3O3
MOLECULAR WEIGHT: 339.390817
SMILES: [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H]
Structure:
CAS RN: 1065472-77-6
CAS Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)-4-pyrimidinyl]benzenesulfonamide
OPENEYE Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxy-ethoxy)pyrimidin-4-yl]benzenesulfonamide
IUPAC Name: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-oxidanyl-ethoxy)pyrimidin-4-yl]benzenesulfonamide
MOLECULAR FORMULA: C27H29N5O6S
MOLECULAR WEIGHT: 555.638707
SMILES: [2H]C([2H])(C([2H])([2H])OC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4)O
Structure:
CAS RN: 1126745-90-1
CAS Name: 5-[2-ethoxy-5-[[4-(trideuteriomethyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C22H30N6O4S
MOLECULAR WEIGHT: 477.594885
SMILES: [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC(=O)C4=C(N3)C(=NN4C)CCC
Structure:
CAS RN: 951385-68-5
CAS Name: 5-[2-ethoxy-5-[(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 5-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-piperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 5-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-[2-ethoxy-5-(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-piperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C22H30N6O4S
MOLECULAR WEIGHT: 482.625694
SMILES: [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC(=O)C4=C(N3)C(=NN4C)CCC)([2H])[2H])[2H]
Structure:
CAS RN: 1124197-58-5
CAS Name: 1,1,3,3-tetradeuterio-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol
OPENEYE Name: 1,1,3,3-tetradeuterio-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
IUPAC Name: 1,1,3,3-tetradeuterio-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-1,1,3,3-tetradeuterio-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C13H12F2N6O
MOLECULAR WEIGHT: 310.295434
SMILES: [2H]C([2H])(C(C1=C(C=C(C=C1)F)F)(C([2H])([2H])N2C=NC=N2)O)N3C=NC=N3
Structure:
CAS RN: 947248-68-2
CAS Name: 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
OPENEYE Name: 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
IUPAC Name: 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SYSTEMATIC NAME: 6-bromanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
MOLECULAR FORMULA: C6H5BrN4
MOLECULAR WEIGHT: 213.0347
SMILES: C1=CC2=NC(=NN2C=C1Br)N
Structure:
CAS RN: 1126721-82-1
CAS Name: N-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
OPENEYE Name: N-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
IUPAC Name: N-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SYSTEMATIC NAME: N-[2-[bis(1,1,2,2,2-pentadeuterioethyl)amino]ethyl]-5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
MOLECULAR FORMULA: C22H27FN4O2
MOLECULAR WEIGHT: 408.535401
SMILES: [2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C)C([2H])([2H])C([2H])([2H])[2H]
Structure:
CAS RN: 13759-90-5
CAS Name: europium(3+) triiodide
OPENEYE Name: europium(3+) triiodide
IUPAC Name: europium(3+) triiodide
SYSTEMATIC NAME: europium(3+) triiodide
MOLECULAR FORMULA: EuI3
MOLECULAR WEIGHT: 532.67741
SMILES: [I-].[I-].[I-].[Eu+3]
Structure:
CAS RN: 865485-85-4
CAS Name: 4,4,5,5-tetramethyl-2-[4-(1,2,2-trifluoroethenoxy)phenyl]-1,3,2-dioxaborolane
OPENEYE Name: 4,4,5,5-tetramethyl-2-[4-(1,2,2-trifluorovinyloxy)phenyl]-1,3,2-dioxaborolane
IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(1,2,2-trifluoroethenoxy)phenyl]-1,3,2-dioxaborolane
SYSTEMATIC NAME: 4,4,5,5-tetramethyl-2-[4-[1,2,2-tris(fluoranyl)ethenoxy]phenyl]-1,3,2-dioxaborolane
MOLECULAR FORMULA: C14H16BF3O3
MOLECULAR WEIGHT: 300.08125
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(=C(F)F)F
Structure:
CAS RN: 590371-71-4
CAS Name: 3-iodo-2-(trifluoromethyl)pyridine
OPENEYE Name: 3-iodo-2-(trifluoromethyl)pyridine
IUPAC Name: 3-iodo-2-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-iodanyl-2-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3F3IN
MOLECULAR WEIGHT: 272.9944
SMILES: C1=CC(=C(N=C1)C(F)(F)F)I
Structure:
CAS RN: 911116-16-0
CAS Name: methanesulfonic acid 3,3,3-trifluoropropyl ester
OPENEYE Name: 3,3,3-trifluoropropyl methanesulfonate
IUPAC Name: 3,3,3-trifluoropropyl methanesulfonate
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)propyl methanesulfonate
MOLECULAR FORMULA: C4H7F3O3S
MOLECULAR WEIGHT: 192.15679
SMILES: CS(=O)(=O)OCCC(F)(F)F
Structure:
CAS RN: 3774-64-9
CAS Name: 6-hydroxy-8-methoxy-3-methyl-9,10-dioxo-1-anthracenolate
OPENEYE Name: 6-hydroxy-8-methoxy-3-methyl-9,10-dioxo-anthracen-1-olate
IUPAC Name: 6-hydroxy-8-methoxy-3-methyl-9,10-dioxoanthracen-1-olate
SYSTEMATIC NAME: 8-methoxy-3-methyl-6-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-olate
MOLECULAR FORMULA: C16H11O5-
MOLECULAR WEIGHT: 283.25554
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC)O)[O-]
Structure:
CAS RN: 5505-63-5
CAS Name: [(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]ammonium
OPENEYE Name: [(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]ammonium
IUPAC Name: [(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
SYSTEMATIC NAME: [(3S,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]azanium
MOLECULAR FORMULA: C6H14NO5+
MOLECULAR WEIGHT: 180.17906
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)[NH3+])O)O)O
Structure:
CAS RN: 5652-32-4
CAS Name: 2-ammonio-3-(disulfanyl)propanoate
OPENEYE Name: 2-azaniumyl-3-(disulfanyl)propanoate
IUPAC Name: 2-azaniumyl-3-(disulfanyl)propanoate
SYSTEMATIC NAME: 2-azaniumyl-3-(disulfanyl)propanoate
MOLECULAR FORMULA: C3H7NO2S2
MOLECULAR WEIGHT: 153.22318
SMILES: C(C(C(=O)[O-])[NH3+])SS
Structure:
CAS RN: 47055-78-7
CAS Name: [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
OPENEYE Name: [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxy-cyclohexyl] phosphate
IUPAC Name: [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
SYSTEMATIC NAME: [(2R,3S,5R,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonatooxy-cyclohexyl] phosphate
MOLECULAR FORMULA: C6H10O12P2-4
MOLECULAR WEIGHT: 336.083922
SMILES: [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-])O)O
Structure:
CAS RN: 34450-16-3
CAS Name: 3-acetamidopropyl(4-ammoniobutyl)ammonium
OPENEYE Name: 3-acetamidopropyl(4-azaniumylbutyl)ammonium
IUPAC Name: 3-acetamidopropyl(4-azaniumylbutyl)azanium
SYSTEMATIC NAME: 3-acetamidopropyl(4-azaniumylbutyl)azanium
MOLECULAR FORMULA: C9H23N3O+2
MOLECULAR WEIGHT: 189.29842
SMILES: CC(=O)NCCC[NH2+]CCCC[NH3+]
Structure:
CAS RN: 53445-96-8
CAS Name: 3-ammoniopropane-1,1,3-tricarboxylate
OPENEYE Name: 3-azaniumylpropane-1,1,3-tricarboxylate
IUPAC Name: 3-azaniumylpropane-1,1,3-tricarboxylate
SYSTEMATIC NAME: 3-azaniumylpropane-1,1,3-tricarboxylate
MOLECULAR FORMULA: C6H7NO6-2
MOLECULAR WEIGHT: 189.12288
SMILES: C(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])[NH3+]
Structure:
CAS RN: 7412-78-4
CAS Name: 2-[(2-ammonio-1-oxoethyl)amino]pentanedioate
OPENEYE Name: 2-[(2-azaniumylacetyl)amino]pentanedioate
IUPAC Name: 2-[(2-azaniumylacetyl)amino]pentanedioate
SYSTEMATIC NAME: 2-(2-azaniumylethanoylamino)pentanedioate
MOLECULAR FORMULA: C7H11N2O5-
MOLECULAR WEIGHT: 203.17264
SMILES: C(CC(=O)[O-])C(C(=O)[O-])NC(=O)C[NH3+]
Structure:
CAS RN: 32181-59-2
CAS Name: N-[(2R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]acetamide
OPENEYE Name: N-[(2R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C14H25NO11
MOLECULAR WEIGHT: 383.3484
SMILES: CC(=O)NC1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
Structure:
CAS RN: 1402-38-6
CAS Name: 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
OPENEYE Name: 2-amino-N1,N9-bis[(3R,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
SYSTEMATIC NAME: 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
MOLECULAR FORMULA: C62H86N12O16
MOLECULAR WEIGHT: 1255.41704
SMILES: CC1C(C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C
Structure:
CAS RN: 6133-30-8
CAS Name: (2S)-2-(diaminomethylideneammonio)butanedioate
OPENEYE Name: (2S)-2-(diaminomethyleneammonio)butanedioate
IUPAC Name: (2S)-2-(diaminomethylideneazaniumyl)butanedioate
SYSTEMATIC NAME: (2S)-2-[bis(azanyl)methylideneazaniumyl]butanedioate
MOLECULAR FORMULA: C5H8N3O4-
MOLECULAR WEIGHT: 174.13472
SMILES: C([C@@H](C(=O)[O-])[NH+]=C(N)N)C(=O)[O-]
Structure:
CAS RN: 20013-23-4
CAS Name: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-5-olate
OPENEYE Name: 7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-5-olate
IUPAC Name: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-5-olate
SYSTEMATIC NAME: 6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate
MOLECULAR FORMULA: C22H21O11-
MOLECULAR WEIGHT: 461.39554
SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O
Structure:
CAS RN: 366-93-8
CAS Name: (2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylammonio]methyl]cyclohexyl]methyl]ammonium
OPENEYE Name: (2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylammonio]methyl]cyclohexyl]methyl]ammonium
IUPAC Name: (2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylazaniumyl]methyl]cyclohexyl]methyl]azanium
SYSTEMATIC NAME: (2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylazaniumyl]methyl]cyclohexyl]methyl]azanium
MOLECULAR FORMULA: C22H30Cl2N2+2
MOLECULAR WEIGHT: 393.393
SMILES: C1CC(CCC1C[NH2+]CC2=CC=CC=C2Cl)C[NH2+]CC3=CC=CC=C3Cl
Structure:
CAS RN: 73023-76-4
CAS Name: 3-[2-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-4-(carboxylatomethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatometh
OPENEYE Name: 3-[2-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-4-(carboxylatomethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatometh
IUPAC Name: 3-[2-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-4-(carboxylatomethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatometh
SYSTEMATIC NAME: 3-[2-[[5-[[5-[[5-(hydroxymethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-(3-oxidanidyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-(3-oxidanidyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-oxidanidyl-2-
MOLECULAR FORMULA: C40H38N4O17-8
MOLECULAR WEIGHT: 846.74632
SMILES: C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 3036-18-8
CAS Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] 2-ammonioethyl phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] 2-azaniumylethyl phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-azaniumylethyl phosphate
SYSTEMATIC NAME: [2-azaniumylethoxy(oxidanidyl)phosphoryl] [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C11H19N4O11P2-
MOLECULAR WEIGHT: 445.236282
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC[NH3+])O)O
Structure:
CAS RN: 1403-66-3
CAS Name: 1-[5-ammonio-6-[4,6-diammonio-3-[[3,5-dihydroxy-5-methyl-4-(methylammonio)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-2-oxanyl]ethyl-methylammonium
OPENEYE Name: 1-[5-azaniumyl-6-[4,6-bis(azaniumyl)-3-[3,5-dihydroxy-5-methyl-4-(methylammonio)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-2-yl]ethyl-methyl-ammonium
IUPAC Name: 1-[5-azaniumyl-6-[4,6-bis(azaniumyl)-3-[3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxan-2-yl]ethyl-methylazanium
SYSTEMATIC NAME: 1-[5-azaniumyl-6-[4,6-bis(azaniumyl)-3-[5-methyl-4-(methylazaniumyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxan-2-yl]ethyl-methyl-azanium
MOLECULAR FORMULA: C21H48N5O7+5
MOLECULAR WEIGHT: 482.63512
SMILES: CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)[NH2+]C)O)[NH3+])[NH3+])[NH3+])[NH2+]C
Structure:
CAS RN: 62061-49-8
CAS Name: 2-ammonio-4-[6-(3-methylbut-2-enylamino)-3-purinyl]butanoate
OPENEYE Name: 2-azaniumyl-4-[6-(3-methylbut-2-enylamino)purin-3-yl]butanoate
IUPAC Name: 2-azaniumyl-4-[6-(3-methylbut-2-enylamino)purin-3-yl]butanoate
SYSTEMATIC NAME: 2-azaniumyl-4-[6-(3-methylbut-2-enylamino)purin-3-yl]butanoate
MOLECULAR FORMULA: C14H20N6O2
MOLECULAR WEIGHT: 304.3476
SMILES: CC(=CCNC1=C2C(=NC=N2)N(C=N1)CCC(C(=O)[O-])[NH3+])C
Structure:
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