CAS RN: 87575-64-2
CAS Name: 3-butyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 3-butyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 3-butyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 3-butyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C15H20N4O
MOLECULAR WEIGHT: 272.3455
SMILES: CCCCN1C(=O)N2C3=CC=CC=C3NC2=NC1(C)C
Structure:
CAS RN: 87575-63-1
CAS Name: 2,2-dimethyl-3-propyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 2,2-dimethyl-3-propyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 2,2-dimethyl-3-propyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 2,2-dimethyl-3-propyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C14H18N4O
MOLECULAR WEIGHT: 258.31892
SMILES: CCCN1C(=O)N2C3=CC=CC=C3NC2=NC1(C)C
Structure:
CAS RN: 87575-61-9
CAS Name: 3-ethyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
OPENEYE Name: 3-ethyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
IUPAC Name: 3-ethyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SYSTEMATIC NAME: 3-ethyl-2,2-dimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazol-4-one
MOLECULAR FORMULA: C13H16N4O
MOLECULAR WEIGHT: 244.29234
SMILES: CCN1C(=O)N2C3=CC=CC=C3NC2=NC1(C)C
Structure:
CAS RN: 87287-23-8
CAS Name: [(2-formyl-1-benzothiophen-3-yl)amino]thiourea
OPENEYE Name: [(2-formylbenzothiophen-3-yl)amino]thiourea
IUPAC Name: [(2-formyl-1-benzothiophen-3-yl)amino]thiourea
SYSTEMATIC NAME: 1-[(2-methanoyl-1-benzothiophen-3-yl)amino]thiourea
MOLECULAR FORMULA: C10H9N3OS2
MOLECULAR WEIGHT: 251.32796
SMILES: C1=CC=C2C(=C1)C(=C(S2)C=O)NNC(=S)N
Structure:
CAS RN: 87245-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CC[C@]23C[C@H](C(=O)C=C2[C@H]1CC4=CC5=C(C=C34)OCO5)OC
Structure:
CAS RN: 87220-76-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CC[C@]23C[C@@H](C(=O)C=C2[C@H]1CC4=CC5=C(C=C34)OCO5)OC
Structure:
CAS RN: 86918-78-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H10O7
MOLECULAR WEIGHT: 326.2571
SMILES: CC1=CC(=C2C3=C1C(=O)OC4=CC(=C(C(=C43)C(=O)C2=O)O)OC)O
Structure:
CAS RN: 37744-62-0
CAS Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
SYSTEMATIC NAME: 6-methoxy-3-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O)O
Structure:
CAS RN: 86849-77-6
CAS Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
SYSTEMATIC NAME: 6-methoxy-3-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O)O
Structure:
CAS RN: 86271-83-2
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-6-methyl-4-(methylamino)-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C21H22N2O8
MOLECULAR WEIGHT: 430.40798
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)NC)O
Structure:
CAS RN: 85850-01-7
CAS Name: (Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-2-pyrrolylidene]methanamine
OPENEYE Name: (Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methanamine
IUPAC Name: (Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methanamine
SYSTEMATIC NAME: (Z)-[5-(5-bromanyl-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methanamine
MOLECULAR FORMULA: C10H10BrN3O
MOLECULAR WEIGHT: 268.1099
SMILES: COC\1=CC(=N/C1=C\N)C2=CC=C(N2)Br
Structure:
CAS RN: 85582-43-0
CAS Name: 1,2,3,4-tetrahydrobenzo[f]quinoxaline-5,6-dione
OPENEYE Name: 1,2,3,4-tetrahydrobenzo[f]quinoxaline-5,6-dione
IUPAC Name: 1,2,3,4-tetrahydrobenzo[f]quinoxaline-5,6-dione
SYSTEMATIC NAME: 1,2,3,4-tetrahydrobenzo[f]quinoxaline-5,6-dione
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1CNC2=C(N1)C3=CC=CC=C3C(=O)C2=O
Structure:
CAS RN: 152390-63-1
CAS Name: 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 152175-68-3
CAS Name: (4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-mercaptoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-oxo
OPENEYE Name: (4S)-5-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1R)-2-[[(1S,2R)-1-[[2-[[(1R)-1-carboxy-2-sulfanyl-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-meth
IUPAC Name: (4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-[[(2R)-1-oxidanyl-1-oxidanylid
MOLECULAR FORMULA: C61H101N17O25S4
MOLECULAR WEIGHT: 1600.81354
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC
Structure:
CAS RN: 85405-01-2
CAS Name: (6S,8S)-8-hydroxy-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6S,8S)-8-hydroxy-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6S,8S)-8-hydroxy-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6S,8S)-3-[(2S,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: 85126-19-8
CAS Name: (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(1S)-1-[(9S,10R,13S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C27H38O8
MOLECULAR WEIGHT: 490.58582
SMILES: C[C@@H]([C@@H]1CCC2[C@@]1(CC[C@H]3C2C=CC4=CC(=O)CC[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Structure:
CAS RN: 83841-48-9
CAS Name: 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-7-hydroxy-2-(2,3,4-trihydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-7-hydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-2-[2,3,4-tris(oxidanyl)phenyl]chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=C(C3=O)C=CC(=C4)O)C5=C(C(=C(C=C5)O)O)O)CO)O)O)O)O)O
Structure:
CAS RN: 83830-84-6
CAS Name: 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4
OPENEYE Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrop
IUPAC Name: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chr
MOLECULAR FORMULA: C33H40O22
MOLECULAR WEIGHT: 788.6575
SMILES: C1=CC(=C(C=C1C2=C(C(=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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O
Structure:
CAS RN: 151957-35-6
CAS Name: (4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1S)-3-carboxy-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxyethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-[(4-phosphonooxyphenyl)methyl]ethyl]carbamoyl]propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]-3-(4-phosphonooxyphenyl)propan-2-yl]amino]pentan-2-yl]amino]-5-oxidanyliden
MOLECULAR FORMULA: C25H36N5O14P
MOLECULAR WEIGHT: 661.552201
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 83398-08-7
CAS Name: (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
OPENEYE Name: (2S)-2-[[(1S)-2-[carboxymethyl(indan-2-yl)amino]-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[2,3-dihydro-1H-inden-2-yl(2-hydroxy-2-oxoethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: C[C@@H](C(=O)N(CC(=O)O)C1CC2=CC=CC=C2C1)N[C@@H](CCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 84041-77-0
CAS Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
OPENEYE Name: 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]ethanol
IUPAC Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
SYSTEMATIC NAME: 2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]amino]ethanol
MOLECULAR FORMULA: C10H15N3O4
MOLECULAR WEIGHT: 241.2438
SMILES: C1=CC(=C(C=C1NCCO)[N+](=O)[O-])NCCO
Structure:
CAS RN: 83465-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22N2O4
MOLECULAR WEIGHT: 390.43178
SMILES: CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)O
Structure:
CAS RN: 79080-62-9
CAS Name: acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: ethanoic acid; 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C23H24O12
MOLECULAR WEIGHT: 492.42946
SMILES: CC(=O)O.C1=CC(=CC=C1C2=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: 159062-85-8
CAS Name: 6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-4,7-dihydroimidazo[1,2-a]purin-9-one
OPENEYE Name: 6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,7-dihydroimidazo[1,2-a]purin-9-one
IUPAC Name: 6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,7-dihydroimidazo[1,2-a]purin-9-one
SYSTEMATIC NAME: 3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-6,7-bis(oxidanyl)-4,7-dihydroimidazo[1,2-a]purin-9-one
MOLECULAR FORMULA: C13H17N5O6
MOLECULAR WEIGHT: 339.30398
SMILES: CC1(C(N2C(=O)C3=C(NC2=N1)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 83016-69-7
CAS Name: 1,3,8-trihydroxy-2,4,6-trimethoxy-9-xanthenone
OPENEYE Name: 1,3,8-trihydroxy-2,4,6-trimethoxy-xanthen-9-one
IUPAC Name: 1,3,8-trihydroxy-2,4,6-trimethoxyxanthen-9-one
SYSTEMATIC NAME: 2,4,6-trimethoxy-1,3,8-tris(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C16H14O8
MOLECULAR WEIGHT: 334.27756
SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C(=C3OC)O)OC)O)O
Structure:
CAS RN: 82850-45-1
CAS Name: 12-hydroxy-3-methyl-1,11-dioxo-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-10-[2]benzopyrano[6,7-b][1]benzopyrancarboxylic acid
OPENEYE Name: 12-hydroxy-3-methyl-1,11-dioxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-isochromeno[6,7-b]chromene-10-carboxylic acid
IUPAC Name: 12-hydroxy-3-methyl-1,11-dioxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromeno[6,7-b]chromene-10-carboxylic acid
SYSTEMATIC NAME: 8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-12-oxidanyl-1,11-bis(oxidanylidene)isochromeno[6,7-b]chromene-10-carboxylic acid
MOLECULAR FORMULA: C24H20O13
MOLECULAR WEIGHT: 516.4078
SMILES: CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C4=C(O3)C=C(C=C4C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 82841-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)C2=C[C@@H](C4)O
Structure:
CAS RN: 82667-93-4
CAS Name: 7,12-dihydroxy-2,2-dimethyl-6-pyrano[3,2-b]xanthenone
OPENEYE Name: 7,12-dihydroxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one
IUPAC Name: 7,12-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
SYSTEMATIC NAME: 2,2-dimethyl-7,12-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(O3)C=CC=C4O)O)C
Structure:
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