CAS RN: 5455-03-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23BrO4
MOLECULAR WEIGHT: 371.26612
SMILES: CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)OC(=O)CBr)C)C
Structure:
CAS RN: 98063-02-6
CAS Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloro-1-oxoethyl)amino]-3,5-dihydroxy-2-morpholinyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [6-(2-amino-6-oxo-3H-purin-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxymorpholin-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-(2-chloranylethanoylamino)-3,5-bis(oxidanyl)morpholin-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C12H18ClN7O12P2
MOLECULAR WEIGHT: 549.711542
SMILES: C1=NC2=C(N1C3C(N(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)NC(=O)CCl)O)NC(=NC2=O)N
Structure:
CAS RN: 98242-55-8
CAS Name: N,N,4-triethyl-1-piperazinecarboxamide
OPENEYE Name: N,N,4-triethylpiperazine-1-carboxamide
IUPAC Name: N,N,4-triethylpiperazine-1-carboxamide
SYSTEMATIC NAME: N,N,4-triethylpiperazine-1-carboxamide
MOLECULAR FORMULA: C11H23N3O
MOLECULAR WEIGHT: 213.31982
SMILES: CCN1CCN(CC1)C(=O)N(CC)CC
Structure:
CAS RN: 6279-11-4
CAS Name: 1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-2-spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]one dihydrochloride
OPENEYE Name: 1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one dihydrochloride
IUPAC Name: 1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one dihydrochloride
SYSTEMATIC NAME: 1'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one dihydrochloride
MOLECULAR FORMULA: C28H38Cl2N4O
MOLECULAR WEIGHT: 517.53352
SMILES: C1CCN2C(C1)NC(=O)C23CCN(CC3)CCCN4C5=CC=CC=C5CCC6=CC=CC=C64.Cl.Cl
Structure:
CAS RN: 6279-04-5
CAS Name: acetic acid (6-acetyloxy-5,7-dimethoxy-9-oxo-1-fluorenyl) ester
OPENEYE Name: (6-acetoxy-5,7-dimethoxy-9-oxo-fluoren-1-yl) acetate
IUPAC Name: (6-acetyloxy-5,7-dimethoxy-9-oxofluoren-1-yl) acetate
SYSTEMATIC NAME: (6-acetyloxy-5,7-dimethoxy-9-oxidanylidene-fluoren-1-yl) ethanoate
MOLECULAR FORMULA: C19H16O7
MOLECULAR WEIGHT: 356.32614
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=CC(=C(C(=C23)OC)OC(=O)C)OC
Structure:
CAS RN: 5454-07-9
CAS Name: 1-butan-2-yl-N-(2,4,6-trimethylphenyl)-2-piperidinecarboxamide hydrochloride
OPENEYE Name: 1-sec-butyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide hydrochloride
IUPAC Name: 1-butan-2-yl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: 1-butan-2-yl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C19H31ClN2O
MOLECULAR WEIGHT: 338.91524
SMILES: CCC(C)N1CCCCC1C(=O)NC2=C(C=C(C=C2C)C)C.Cl
Structure:
CAS RN: 98640-98-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H31FN2O2
MOLECULAR WEIGHT: 446.556343
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O
Structure:
CAS RN: 147611-81-2
CAS Name: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
OPENEYE Name: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC Name: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C9H8N4O3S2
MOLECULAR WEIGHT: 284.31482
SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N=C=S
Structure:
CAS RN: 147512-46-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O7
MOLECULAR WEIGHT: 392.44282
SMILES: CC12CC(C(CC1=CCC3C2CCC4=COC5(C4(C(CO5)OC3=O)O)C)O)O
Structure:
CAS RN: 147511-60-2
CAS Name: 2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H24O10
MOLECULAR WEIGHT: 436.40926
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
Structure:
CAS RN: 147235-95-8
CAS Name: pyrrolidine-2,3-dicarboxylic acid
OPENEYE Name: pyrrolidine-2,3-dicarboxylic acid
IUPAC Name: pyrrolidine-2,3-dicarboxylic acid
SYSTEMATIC NAME: pyrrolidine-2,3-dicarboxylic acid
MOLECULAR FORMULA: C6H9NO4
MOLECULAR WEIGHT: 159.13996
SMILES: C1CNC(C1C(=O)O)C(=O)O
Structure:
CAS RN: 146993-12-6
CAS Name: 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide hydrochloride
OPENEYE Name: 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide hydrochloride
IUPAC Name: 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide hydrochloride
SYSTEMATIC NAME: 6-azanyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C13H16ClN3O
MOLECULAR WEIGHT: 265.73864
SMILES: C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)C(=O)N.Cl
Structure:
CAS RN: 146875-03-8
CAS Name: (6R)-6-(3-aminopropyl)-1,3-diazinan-4-one
OPENEYE Name: (6R)-6-(3-aminopropyl)hexahydropyrimidin-4-one
IUPAC Name: (6R)-6-(3-aminopropyl)-1,3-diazinan-4-one
SYSTEMATIC NAME: (6R)-6-(3-azanylpropyl)-1,3-diazinan-4-one
MOLECULAR FORMULA: C7H15N3O
MOLECULAR WEIGHT: 159.199564
SMILES: C1[C@H](NC[15NH][13C]1=O)CCCN
Structure:
CAS RN: 146864-75-7
CAS Name: 6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
IUPAC Name: methyl 6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
SYSTEMATIC NAME: methyl 3,8-dimethoxy-1-methyl-6a,7,10a,12-tetrakis(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate
MOLECULAR FORMULA: C23H20O11
MOLECULAR WEIGHT: 472.3983
SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)O)OC)C(=O)OC
Structure:
CAS RN: 146848-68-2
CAS Name: 2-(2-methylene-3-oxocyclopentyl)acetic acid
OPENEYE Name: 2-(2-methylene-3-oxo-cyclopentyl)acetic acid
IUPAC Name: 2-(2-methylidene-3-oxocyclopentyl)acetic acid
SYSTEMATIC NAME: 2-(2-methylidene-3-oxidanylidene-cyclopentyl)ethanoic acid
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: C=C1C(CCC1=O)CC(=O)O
Structure:
CAS RN: 146763-54-4
CAS Name: (2R,3R,4S,5S,6R)-2-(3-hydroxybutan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-hydroxy-1-methyl-propoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-(3-hydroxybutan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-oxidanylbutan-2-yloxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H20O7
MOLECULAR WEIGHT: 252.2616
SMILES: CC(C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Structure:
CAS RN: 146728-78-1
CAS Name: (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O9
MOLECULAR WEIGHT: 634.84032
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O
Structure:
CAS RN: 146726-73-0
CAS Name: 3-(5,6-dichloro-2,4-dimethyl-1-oxohexyl)-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one
OPENEYE Name: 3-(5,6-dichloro-2,4-dimethyl-hexanoyl)-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one
IUPAC Name: 3-(5,6-dichloro-2,4-dimethylhexanoyl)-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one
SYSTEMATIC NAME: 5-[5,6-bis(chloranyl)-2,4-dimethyl-hexanoyl]-2,3-dimethoxy-6-oxidanyl-1H-pyridin-4-one
MOLECULAR FORMULA: C15H21Cl2NO5
MOLECULAR WEIGHT: 366.23694
SMILES: CC(CC(C)C(=O)C1=C(NC(=C(C1=O)OC)OC)O)C(CCl)Cl
Structure:
CAS RN: 146725-34-0
CAS Name: (1S,3S,4S,5R)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S,4S,5R)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (1S,3S,4S,5R)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (1S,3S,4S,5R)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C15H17Cl2NO2
MOLECULAR WEIGHT: 314.20698
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 146713-94-2
CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chroman-4-one
IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C23H24O6
MOLECULAR WEIGHT: 396.43306
SMILES: CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC4=C(C=C3)OCO4)OC)OC)C
Structure:
CAS RN: 146670-40-8
CAS Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
OPENEYE Name: 4-[2-(1,1,4,4-tetramethyltetralin-6-yl)-1,3-dioxolan-2-yl]benzoic acid
IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
MOLECULAR FORMULA: C24H28O4
MOLECULAR WEIGHT: 380.47672
SMILES: CC1(CCC(C2=C1C=CC(=C2)C3(OCCO3)C4=CC=C(C=C4)C(=O)O)(C)C)C
Structure:
CAS RN: 146644-58-8
CAS Name: 2-hydroxy-5,6-dimethoxy-3-(5,5,6-trichloro-2,4-dimethyl-1-oxohexyl)-1H-pyridin-4-one
OPENEYE Name: 2-hydroxy-5,6-dimethoxy-3-(5,5,6-trichloro-2,4-dimethyl-hexanoyl)-1H-pyridin-4-one
IUPAC Name: 2-hydroxy-5,6-dimethoxy-3-(5,5,6-trichloro-2,4-dimethylhexanoyl)-1H-pyridin-4-one
SYSTEMATIC NAME: 2,3-dimethoxy-6-oxidanyl-5-[5,5,6-tris(chloranyl)-2,4-dimethyl-hexanoyl]-1H-pyridin-4-one
MOLECULAR FORMULA: C15H20Cl3NO5
MOLECULAR WEIGHT: 400.682
SMILES: CC(CC(C)C(CCl)(Cl)Cl)C(=O)C1=C(NC(=C(C1=O)OC)OC)O
Structure:
CAS RN: 146574-43-8
CAS Name: 4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol
OPENEYE Name: 4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol
IUPAC Name: 4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol
SYSTEMATIC NAME: 4-[3-[2-(2-methoxyphenoxy)ethylamino]-2-oxidanyl-propoxy]-9H-carbazol-3-ol
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: COC1=CC=CC=C1OCCNCC(COC2=C(C=CC3=C2C4=CC=CC=C4N3)O)O
Structure:
CAS RN: 146565-64-2
CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethyl-4-methoxy-9,10,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H31NO9
MOLECULAR WEIGHT: 513.53634
SMILES: CCC1(CC(C2=C(C1O)C(=C3C(=C2)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O
Structure:
CAS RN: 146565-63-1
CAS Name: 7-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-9,10,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C29H35NO9
MOLECULAR WEIGHT: 541.5895
SMILES: CCC1(CC(C2=C(C1O)C(=C3C(=C2)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N(C)C)O
Structure:
CAS RN: 146494-40-8
CAS Name: 4-hydroxy-3-[4-(1-hydroxy-2-methylpropan-2-yl)cyclohexyl]naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-[4-(2-hydroxy-1,1-dimethyl-ethyl)cyclohexyl]naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-[4-(1-hydroxy-2-methylpropan-2-yl)cyclohexyl]naphthalene-1,2-dione
SYSTEMATIC NAME: 3-[4-(2-methyl-1-oxidanyl-propan-2-yl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: CC(C)(CO)C1CCC(CC1)C2=C(C3=CC=CC=C3C(=O)C2=O)O
Structure:
CAS RN: 146426-35-9
CAS Name: 2-ethyl-5-(1H-indol-3-yl)oxazole
OPENEYE Name: 2-ethyl-5-(1H-indol-3-yl)oxazole
IUPAC Name: 2-ethyl-5-(1H-indol-3-yl)-1,3-oxazole
SYSTEMATIC NAME: 2-ethyl-5-(1H-indol-3-yl)-1,3-oxazole
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CCC1=NC=C(O1)C2=CNC3=CC=CC=C32
Structure:
CAS RN: 146406-84-0
CAS Name: 2,6,8-trimethyl-4a-(2-oxopropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
OPENEYE Name: 4a-acetonyl-2,6,8-trimethyl-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
IUPAC Name: 2,6,8-trimethyl-4a-(2-oxopropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
SYSTEMATIC NAME: 2,6,8-trimethyl-4a-(2-oxidanylidenepropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C
Structure:
CAS RN: 146404-37-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H7N5OS
MOLECULAR WEIGHT: 209.22838
SMILES: C1CN2C(=C3C(=NC2=O)N=NN3)SC1
Structure:
CAS RN: 146369-86-0
CAS Name: 3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 3-[(6R)-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[(6R)-6-(hydroxymethyl)-5-oxidanylidene-2H-pyran-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: CC1=CNC(=O)N(C1=O)C2C=CC(=O)[C@H](O2)CO
Structure:
CAS RN: 146367-82-0
CAS Name: 3-(2-bromoethyl)-N-(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-2-amine
OPENEYE Name: 3-(2-bromoethyl)-N-(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
IUPAC Name: 3-(2-bromoethyl)-N-(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine
SYSTEMATIC NAME: 3-(2-bromoethyl)-N-(2-chloroethyl)-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-2-amine
MOLECULAR FORMULA: C7H15BrClN2O2P
MOLECULAR WEIGHT: 305.536961
SMILES: C1CN(P(=O)(OC1)NCCCl)CCBr
Structure:
CAS RN: 146333-15-5
CAS Name: (2,3-dihydroxycyclohexyl) dihydrogen phosphate
OPENEYE Name: (2,3-dihydroxycyclohexyl) dihydrogen phosphate
IUPAC Name: (2,3-dihydroxycyclohexyl) dihydrogen phosphate
SYSTEMATIC NAME: [2,3-bis(oxidanyl)cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O6P
MOLECULAR WEIGHT: 212.137581
SMILES: C1CC(C(C(C1)OP(=O)(O)O)O)O
Structure:
CAS RN: 146276-11-1
CAS Name: (3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxymethyl]oxane-2,3,4,5-tetrol
OPENEYE Name: (3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4S,5S,6R)-6-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O
Structure:
CAS RN: 5451-06-9
CAS Name: (2S,3aS,7aS)-1-[(4R)-4-carboxy-1-oxo-4-(phenylmethoxycarbonylamino)butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
OPENEYE Name: (2S,3aS,7aS)-1-[(4R)-4-(benzyloxycarbonylamino)-4-carboxy-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
IUPAC Name: (2S,3aS,7aS)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,7aS)-1-[(4R)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
MOLECULAR FORMULA: C22H28N2O7
MOLECULAR WEIGHT: 432.46692
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 5450-11-3
CAS Name: (2S)-1-[(4R)-4-carboxy-1-oxo-4-(phenylmethoxycarbonylamino)butyl]-2,3-dihydroindole-2-carboxylic acid
OPENEYE Name: (2S)-1-[(4R)-4-(benzyloxycarbonylamino)-4-carboxy-butanoyl]indoline-2-carboxylic acid
IUPAC Name: (2S)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(4R)-5-oxidanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C22H22N2O7
MOLECULAR WEIGHT: 426.41928
SMILES: C1[C@H](N(C2=CC=CC=C21)C(=O)CC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 146269-95-6
CAS Name: 1-(2,5-dimethoxy-3-nitrophenyl)-2-propanamine
OPENEYE Name: 1-(2,5-dimethoxy-3-nitro-phenyl)propan-2-amine
IUPAC Name: 1-(2,5-dimethoxy-3-nitrophenyl)propan-2-amine
SYSTEMATIC NAME: 1-(2,5-dimethoxy-3-nitro-phenyl)propan-2-amine
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC(CC1=CC(=CC(=C1OC)[N+](=O)[O-])OC)N
Structure:
CAS RN: 6271-10-9
CAS Name: N-[2-(2-aminoethylthio)propyl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinamine
OPENEYE Name: N-[2-(2-aminoethylsulfanyl)propyl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
IUPAC Name: N-[2-(2-aminoethylsulfanyl)propyl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
SYSTEMATIC NAME: N-[2-(2-azanylethylsulfanyl)propyl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
MOLECULAR FORMULA: C23H26F3N3O2S
MOLECULAR WEIGHT: 465.53165
SMILES: CC1=C2C(=C(C=C(C2=NC=C1)NCC(C)SCCN)OC)OC3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 5450-08-8
CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-[[[[2-furanyl(oxo)methyl]amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2R)-2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-(furan-2-ylcarbonylcarbamoylamino)-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C24H22N4O9S
MOLECULAR WEIGHT: 542.51788
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)NC(=O)C4=CC=CO4)SC1)C(=O)O
Structure:
CAS RN: 5449-10-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N10
MOLECULAR WEIGHT: 364.4077
SMILES: C1CCN2C=NC3=C2N=C(CCCN=C4C5C(=NC=N4)N(C1)C=N5)N=C3N
Structure:
CAS RN: 146117-78-4
CAS Name: (4aS,10bS)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
OPENEYE Name: (4aS,10bS)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
IUPAC Name: (4aS,10bS)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SYSTEMATIC NAME: (4aS,10bS)-8-chloranyl-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
MOLECULAR FORMULA: C14H16ClNO
MOLECULAR WEIGHT: 249.73594
SMILES: CN1[C@H]2CCC3=C([C@@H]2CCC1=O)C=CC(=C3)Cl
Structure:
No comments:
Post a Comment