CAS RN: 143441-78-5
CAS Name: (6R,8S)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6R,8S)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6R,8S)-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6R,8S)-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-8-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: C[C@@H]1C[C@@H](N2C(=O)C3=C(NC2=N1)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 143371-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H17N5O3
MOLECULAR WEIGHT: 291.30578
SMILES: C[C@@H]1C[C@H](N2C(=O)C3=C(NC2=N1)N=C4N3[C@@H](C[C@@H]4O)C)O
Structure:
CAS RN: 143216-79-9
CAS Name: 17-(methoxyamino)-15,16-dihydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-(methoxyamino)-15,16-dihydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 17-(methoxyamino)-15,16-dihydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-(methoxyamino)-15,16-dihydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: CONC1=C2C=CC3=C4C=CC(=O)C=C4C=CC3=C2CC1
Structure:
CAS RN: 137132-39-9
CAS Name: [(E)-amino-(1-methyl-2-pyridinylidene)methyl]-oxoammonium iodide
OPENEYE Name: [(E)-amino-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium iodide
IUPAC Name: [(E)-amino-(1-methylpyridin-2-ylidene)methyl]-oxoazanium iodide
SYSTEMATIC NAME: [(E)-azanyl-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium iodide
MOLECULAR FORMULA: C7H10IN3O
MOLECULAR WEIGHT: 279.07827
SMILES: CN\1C=CC=C/C1=C(/N)\[NH+]=O.[I-]
Structure:
CAS RN: 137132-40-2
CAS Name: [(E)-amino-(1-methyl-2-pyridinylidene)methyl]-oxoammonium iodide
OPENEYE Name: [(E)-amino-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium iodide
IUPAC Name: [(E)-amino-(1-methylpyridin-2-ylidene)methyl]-oxoazanium iodide
SYSTEMATIC NAME: [(E)-azanyl-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium iodide
MOLECULAR FORMULA: C7H10IN3O
MOLECULAR WEIGHT: 279.07827
SMILES: CN\1C=CC=C/C1=C(/N)\[NH+]=O.[I-]
Structure:
CAS RN: 136945-67-0
CAS Name: (2Z)-7-hydroxy-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-3,1-benzoxazin-4-one
OPENEYE Name: (2Z)-7-hydroxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-3,1-benzoxazin-4-one
IUPAC Name: (2Z)-7-hydroxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-3,1-benzoxazin-4-one
SYSTEMATIC NAME: (2Z)-7-oxidanyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C14H9NO4
MOLECULAR WEIGHT: 255.22556
SMILES: C1=C/C(=C/2\NC3=C(C=CC(=C3)O)C(=O)O2)/C(=O)C=C1
Structure:
CAS RN: 135463-10-4
CAS Name: 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxy-5-methoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one
IUPAC Name: 2-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 3,7-dimethoxy-2-[5-methoxy-2,4-bis(oxidanyl)phenyl]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3O)O)OC)O
Structure:
CAS RN: 135446-71-8
CAS Name: 1,3,7-trihydroxy-8-methoxy-11-benzofuro[2,3-b][1]benzopyranone
OPENEYE Name: 1,3,7-trihydroxy-8-methoxy-benzofuro[2,3-b]chromen-11-one
IUPAC Name: 1,3,7-trihydroxy-8-methoxy-[1]benzofuro[2,3-b]chromen-11-one
SYSTEMATIC NAME: 8-methoxy-1,3,7-tris(oxidanyl)-[1]benzofuro[2,3-b]chromen-11-one
MOLECULAR FORMULA: C16H10O7
MOLECULAR WEIGHT: 314.2464
SMILES: COC1=C(C2=C(C=C1)C3=C(O2)OC4=CC(=CC(=C4C3=O)O)O)O
Structure:
CAS RN: 12643-03-7
CAS Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
OPENEYE Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-7-ethyl-3,13,17-trimethyl-8-(oxidomethylene)-12-vinyl-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
IUPAC Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
SYSTEMATIC NAME: magnesium; (8E)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidanidylmethylidene)-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
MOLECULAR FORMULA: C34H32MgN4O7
MOLECULAR WEIGHT: 632.94548
SMILES: [H+].[H+].[H+].CCC\1=C2C=C3C(=C(C(=C(C4=NC(=CC5=NC(=CC(=N2)/C1=C/[O-])C(=C5C)C=C)C(C4CCC(=O)[O-])C)CC(=O)[O-])[N-]3)C(=O)[O-])C.[Mg+2]
Structure:
CAS RN: 13962-39-5
CAS Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
OPENEYE Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-7-ethyl-3,13,17-trimethyl-8-(oxidomethylene)-12-vinyl-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
IUPAC Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
SYSTEMATIC NAME: magnesium; (8E)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidanidylmethylidene)-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
MOLECULAR FORMULA: C34H32MgN4O7
MOLECULAR WEIGHT: 632.94548
SMILES: [H+].[H+].[H+].CCC\1=C2C=C3C(=C(C(=C(C4=NC(=CC5=NC(=CC(=N2)/C1=C/[O-])C(=C5C)C=C)C(C4CCC(=O)[O-])C)CC(=O)[O-])[N-]3)C(=O)[O-])C.[Mg+2]
Structure:
CAS RN: 29119-82-2
CAS Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
OPENEYE Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-7-ethyl-3,13,17-trimethyl-8-(oxidomethylene)-12-vinyl-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
IUPAC Name: magnesium; (8E)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
SYSTEMATIC NAME: magnesium; (8E)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidanidylmethylidene)-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-18-(3-oxidanidyl-3-oxidanylidene-propyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate; hydron
MOLECULAR FORMULA: C34H32MgN4O7
MOLECULAR WEIGHT: 632.94548
SMILES: [H+].[H+].[H+].CCC\1=C2C=C3C(=C(C(=C(C4=NC(=CC5=NC(=CC(=N2)/C1=C/[O-])C(=C5C)C=C)C(C4CCC(=O)[O-])C)CC(=O)[O-])[N-]3)C(=O)[O-])C.[Mg+2]
Structure:
CAS RN: 169970-69-8
CAS Name: 7-[3-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-7-yl]oxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-7-yl]oxy-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl]oxy-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-[2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C37H42N4O19
MOLECULAR WEIGHT: 846.74478
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCC(CN5C=NC6=C5C(=O)N(C(=O)N6C)C)O)C7=CC(=C(C=C7)O)O)O)O)O)O)O)O
Structure:
CAS RN: 156589-30-9
CAS Name: cyclobutanecarboxylic acid [(2R,3S)-3-[2-[(2S,3R)-3-[[cyclobutyl(oxo)methoxy]methyl]-2-ethyl-4-(3-methyl-4-imidazolyl)-1-oxobutoxy]ethoxy-oxomethyl]-2-[(3-methyl-4-imidazolyl)methyl]pentyl] ester
OPENEYE Name: [(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutanecarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate
IUPAC Name: [(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutanecarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate
SYSTEMATIC NAME: [(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutylcarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate
MOLECULAR FORMULA: C34H50N4O8
MOLECULAR WEIGHT: 642.7828
SMILES: CC[C@@H]([C@@H](CC1=CN=CN1C)COC(=O)C2CCC2)C(=O)OCCOC(=O)[C@@H](CC)[C@@H](CC3=CN=CN3C)COC(=O)C4CCC4
Structure:
CAS RN: 149969-25-5
CAS Name: (3E)-5-chloro-6,6-dihydroxy-2-oxohexa-3,5-dienal
OPENEYE Name: (3E)-5-chloro-6,6-dihydroxy-2-oxo-hexa-3,5-dienal
IUPAC Name: (3E)-5-chloro-6,6-dihydroxy-2-oxohexa-3,5-dienal
SYSTEMATIC NAME: (3E)-5-chloranyl-6,6-bis(oxidanyl)-2-oxidanylidene-hexa-3,5-dienal
MOLECULAR FORMULA: C6H5ClO4
MOLECULAR WEIGHT: 176.5545
SMILES: C(=C/C(=C(O)O)Cl)\C(=O)C=O
Structure:
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