CAS RN: 6638-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13N5O3
MOLECULAR WEIGHT: 263.25262
SMILES: C1[C@H]2[C@@H]([C@H](O[C@H]2N3C1=NC4=C3N=CN=C4N)CO)O
Structure:
CAS RN: 6638-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15N5O3
MOLECULAR WEIGHT: 277.2792
SMILES: C1CC2=NC3=C(N2[C@H]4[C@@H]1[C@@H]([C@H](O4)CO)O)N=CN=C3N
Structure:
CAS RN: 6638-04-6
CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(5-bicyclo[2.2.2]oct-2-enyl)methanone hydrochloride
OPENEYE Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(5-bicyclo[2.2.2]oct-2-enyl)methanone hydrochloride
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-bicyclo[2.2.2]oct-2-enyl)methanone hydrochloride
SYSTEMATIC NAME: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(5-bicyclo[2.2.2]oct-2-enyl)methanone hydrochloride
MOLECULAR FORMULA: C23H30ClN5O3
MOLECULAR WEIGHT: 459.969
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CC5CCC4C=C5)N)OC.Cl
Structure:
CAS RN: 6635-04-7
CAS Name: 1,2,3,4-tetrahydropyridine-6-carboxylic acid
OPENEYE Name: 1,2,3,4-tetrahydropyridine-6-carboxylic acid
IUPAC Name: 1,2,3,4-tetrahydropyridine-6-carboxylic acid
SYSTEMATIC NAME: 1,2,3,4-tetrahydropyridine-6-carboxylic acid
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: C1CC=C(NC1)C(=O)O
Structure:
CAS RN: 6626-01-3
CAS Name: 1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[(3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]-9-xanthenone
OPENEYE Name: 1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[(3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]xanthen-9-one
IUPAC Name: 1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]xanthen-9-one
SYSTEMATIC NAME: 4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-[(3R,4R,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,7-tris(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C25H28O15
MOLECULAR WEIGHT: 568.48082
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H](C(O1)C2=C(C3=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=C(C3=O)C=C(C=C5)O)O)O)O)O
Structure:
CAS RN: 6623-12-7
CAS Name: (3R,5R)-1-hydroxy-3,4,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-1-hydroxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-1-hydroxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-1-oxidanyl-3,4,5-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C28H24O18
MOLECULAR WEIGHT: 648.47936
SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 99745-62-7
CAS Name: (3R,5R)-1-hydroxy-3,4,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-1-hydroxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-1-hydroxy-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-1-oxidanyl-3,4,5-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C28H24O18
MOLECULAR WEIGHT: 648.47936
SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Structure:
CAS RN: 116861-00-8
CAS Name: 1-(propan-2-ylamino)-3-[2-(1-pyrrolyl)phenoxy]-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
IUPAC Name: 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O
Structure:
CAS RN: 55050-95-8
CAS Name: 1-(propan-2-ylamino)-3-[2-(1-pyrrolyl)phenoxy]-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
IUPAC Name: 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O
Structure:
CAS RN: 6384-08-3
CAS Name: hexadecanoic acid [3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [2-hexadecanoyloxy-3-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C43H75N4O11P
MOLECULAR WEIGHT: 855.049561
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 6694-16-2
CAS Name: hexadecanoic acid [3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [2-hexadecanoyloxy-3-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C43H75N4O11P
MOLECULAR WEIGHT: 855.049561
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 83542-84-1
CAS Name: 2-[methoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[(isopropylamino)-methoxy-phosphinothioyl]oxybenzoate
IUPAC Name: propan-2-yl 2-[methoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
SYSTEMATIC NAME: propan-2-yl 2-[methoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
MOLECULAR FORMULA: C14H22NO4PS
MOLECULAR WEIGHT: 331.367541
SMILES: CC(C)NP(=S)(OC)OC1=CC=CC=C1C(=O)OC(C)C
Structure:
CAS RN: 6346-07-2
CAS Name: [(3S,5R)-5-(4-amino-5-bromo-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [(3S,5R)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [(3S,5R)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [(3S,5R)-5-(4-azanyl-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C19H24BrN8O10P
MOLECULAR WEIGHT: 635.319221
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)OP(=O)(O)OCC4[C@H](C[C@@H](O4)N5C=C(C(=NC5=O)N)Br)O
Structure:
CAS RN: 6346-04-9
CAS Name: 5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxo-3-morpholinyl]-3,5-dimethyl-2-morpholinone
OPENEYE Name: 5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxo-morpholin-3-yl]-3,5-dimethyl-morpholin-2-one
IUPAC Name: 5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxomorpholin-3-yl]-3,5-dimethylmorpholin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-[5-(hydroxymethyl)-3,5-dimethyl-2-oxidanylidene-morpholin-3-yl]-3,5-dimethyl-morpholin-2-one
MOLECULAR FORMULA: C14H24N2O6
MOLECULAR WEIGHT: 316.35016
SMILES: CC1(COC(=O)C(N1)(C)C2(C(=O)OCC(N2)(C)CO)C)CO
Structure:
CAS RN: 6344-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1)O)(C3([C@@H](C[C@H](C34CO4)O2)O)C)C
Structure:
CAS RN: 6343-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O8
MOLECULAR WEIGHT: 380.38906
SMILES: CC1=C[C@@H]2[C@](C(C1=O)O)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)COC(=O)C
Structure:
CAS RN: 99464-90-1
CAS Name: 2-[[(1R,2R,3aS,9aS)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
OPENEYE Name: 2-[[(1R,2R,3aS,9aS)-1-[(3R)-3-cyclohexyl-3-hydroxy-propyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
IUPAC Name: 2-[[(1R,2R,3aS,9aS)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[(1R,2R,3aS,9aS)-1-[(3R)-3-cyclohexyl-3-oxidanyl-propyl]-2-oxidanyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C1CCC(CC1)[C@@H](CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC4=C(C3)C(=CC=C4)OCC(=O)O)O)O
Structure:
CAS RN: 6340-06-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H69FO34
MOLECULAR WEIGHT: 1136.975263
SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@
Structure:
CAS RN: 6339-03-3
CAS Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
OPENEYE Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-amino-octane-2,3,4,5,6-pentol
IUPAC Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
SYSTEMATIC NAME: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-azanyl-octane-2,3,4,5,6-pentol
MOLECULAR FORMULA: C36H65NO5
MOLECULAR WEIGHT: 591.905
SMILES: C[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@H](C)[C@H]([C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)O)C)C
Structure:
CAS RN: 6338-04-1
CAS Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
OPENEYE Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-amino-octane-2,3,4,5,6-pentol
IUPAC Name: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
SYSTEMATIC NAME: (2S,3S,4R,5R,6R,7S)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-azanyl-octane-2,3,4,5,6-pentol
MOLECULAR FORMULA: C35H63NO5
MOLECULAR WEIGHT: 577.87842
SMILES: C[C@@H]([C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C)[C@H]([C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)O
Structure:
CAS RN: 6337-11-7
CAS Name: 1,1,1-trifluoro-3-(4-mercaptobutylthio)-2-propanone
OPENEYE Name: 1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one
IUPAC Name: 1,1,1-trifluoro-3-(4-sulfanylbutylsulfanyl)propan-2-one
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-3-(4-sulfanylbutylsulfanyl)propan-2-one
MOLECULAR FORMULA: C7H11F3OS2
MOLECULAR WEIGHT: 232.28685
SMILES: C(CCSCC(=O)C(F)(F)F)CS
Structure:
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