CAS RN: 136315-04-3
CAS Name: (2R,3R,4S,5R)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[(6R)-6-oxidanyl-3,6-dihydropurin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N4O5
MOLECULAR WEIGHT: 270.24196
SMILES: C1=N[C@@H](C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 136051-65-5
CAS Name: 3-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
OPENEYE Name: 3-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
IUPAC Name: 3-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
SYSTEMATIC NAME: 3-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=CC(=CC2=C1OCO2)C3=C(C=C(C=C3)O)OC
Structure:
CAS RN: 136051-64-4
CAS Name: 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
OPENEYE Name: 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
IUPAC Name: 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
SYSTEMATIC NAME: 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: COC1=CC(=CC2=C1OCO2)C3=CC(=CC=C3)O
Structure:
CAS RN: 135861-54-0
CAS Name: 1-(3-iodophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3-iodophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3-iodophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(3-iodanylphenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C10H6INO2
MOLECULAR WEIGHT: 299.06461
SMILES: C1=CC(=CC(=C1)I)N2C(=O)C=CC2=O
Structure:
CAS RN: 384819-92-5
CAS Name: 2,5-diisothiocyanatobenzenesulfonic acid
OPENEYE Name: 2,5-diisothiocyanatobenzenesulfonic acid
IUPAC Name: 2,5-diisothiocyanatobenzenesulfonic acid
SYSTEMATIC NAME: 2,5-diisothiocyanatobenzenesulfonic acid
MOLECULAR FORMULA: C8H4N2O3S3
MOLECULAR WEIGHT: 272.32396
SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)N=C=S
Structure:
CAS RN: 135705-08-7
CAS Name: 2,5-diisothiocyanatobenzenesulfonic acid
OPENEYE Name: 2,5-diisothiocyanatobenzenesulfonic acid
IUPAC Name: 2,5-diisothiocyanatobenzenesulfonic acid
SYSTEMATIC NAME: 2,5-diisothiocyanatobenzenesulfonic acid
MOLECULAR FORMULA: C8H4N2O3S3
MOLECULAR WEIGHT: 272.32396
SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)N=C=S
Structure:
CAS RN: 135643-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16OS
MOLECULAR WEIGHT: 292.39474
SMILES: C1CC2=C(COC3=C2C=CC4=CC=CC=C43)C5=CSCC51
Structure:
CAS RN: 135643-39-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20O2
MOLECULAR WEIGHT: 316.393
SMILES: CC12CCC3=C(C1=CCCC2=O)COC4=C3C=CC5=CC=CC=C54
Structure:
CAS RN: 135635-82-4
CAS Name: 1,3,7-trihydroxy-8-methoxy-3-methyl-1,2,4,7-tetrahydrobenzo[a]anthracen-12-one
OPENEYE Name: 1,3,7-trihydroxy-8-methoxy-3-methyl-1,2,4,7-tetrahydrobenzo[a]anthracen-12-one
IUPAC Name: 1,3,7-trihydroxy-8-methoxy-3-methyl-1,2,4,7-tetrahydrobenzo[a]anthracen-12-one
SYSTEMATIC NAME: 8-methoxy-3-methyl-1,3,7-tris(oxidanyl)-1,2,4,7-tetrahydrobenzo[a]anthracen-12-one
MOLECULAR FORMULA: C20H20O5
MOLECULAR WEIGHT: 340.3698
SMILES: CC1(CC(C2=C(C1)C=CC3=C2C(=O)C4=C(C3O)C(=CC=C4)OC)O)O
Structure:
CAS RN: 135467-93-5
CAS Name: N-ethyl-N-methylcarbamic acid phenyl ester
OPENEYE Name: phenyl N-ethyl-N-methyl-carbamate
IUPAC Name: phenyl N-ethyl-N-methylcarbamate
SYSTEMATIC NAME: phenyl N-ethyl-N-methyl-carbamate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCN(C)C(=O)OC1=CC=CC=C1
Structure:
CAS RN: 135415-65-5
CAS Name: (6aR,10aR)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-9-one
OPENEYE Name: (6aR,10aR)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
IUPAC Name: (6aR,10aR)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
SYSTEMATIC NAME: (6aR,10aR)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CCCCCC1=CC2=C([C@@H]3CC(=O)CC[C@H]3C(O2)(C)C)C(=C1)OC
Structure:
CAS RN: 135330-08-4
CAS Name: 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-dithiolone
OPENEYE Name: 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one
IUPAC Name: 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one
SYSTEMATIC NAME: 4-chloranyl-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,2-dithiol-3-one
MOLECULAR FORMULA: C13H12ClNOS2
MOLECULAR WEIGHT: 297.82348
SMILES: CC1C2=CC=CC=C2CCN1C3=C(C(=O)SS3)Cl
Structure:
CAS RN: 135325-54-1
CAS Name: 5-methyl-1-nitro-3-pyrrolamine
OPENEYE Name: 5-methyl-1-nitro-pyrrol-3-amine
IUPAC Name: 5-methyl-1-nitropyrrol-3-amine
SYSTEMATIC NAME: 5-methyl-1-nitro-pyrrol-3-amine
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: CC1=CC(=CN1[N+](=O)[O-])N
Structure:
CAS RN: 135261-89-1
CAS Name: 2-(5-amino-1-methyl-4,7-dioxo-3-indolyl)-4-thiazolecarboxamide
OPENEYE Name: 2-(5-amino-1-methyl-4,7-dioxo-indol-3-yl)thiazole-4-carboxamide
IUPAC Name: 2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[5-azanyl-1-methyl-4,7-bis(oxidanylidene)indol-3-yl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C13H10N4O3S
MOLECULAR WEIGHT: 302.3085
SMILES: CN1C=C(C2=C1C(=O)C=C(C2=O)N)C3=NC(=CS3)C(=O)N
Structure:
CAS RN: 135248-51-0
CAS Name: 2-chloro-2-fluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
OPENEYE Name: 2-chloro-2-fluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
IUPAC Name: 2-chloro-2-fluoro-N-[2-(4-nitrophenyl)ethyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-2-fluoranyl-N-[2-(4-nitrophenyl)ethyl]ethanamide
MOLECULAR FORMULA: C10H10ClFN2O3
MOLECULAR WEIGHT: 260.649403
SMILES: C1=CC(=CC=C1CCNC(=O)C(F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 135213-48-8
CAS Name: (1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
OPENEYE Name: (1S)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
IUPAC Name: (1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
SYSTEMATIC NAME: (1S)-7-methoxy-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CN1CCC2=C([C@@H]1CC3=CC(=C(C=C3)O)OC)C(=C(C=C2)OC)O
Structure:
CAS RN: 135144-30-8
CAS Name: (8R,9S,10S,13S,14S)-10-[(1S)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (8R,9S,10S,13S,14S)-10-[(1S)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (8R,9S,10S,13S,14S)-10-[(1S)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8R,9S,10S,13S,14S)-13-methyl-10-[(1S)-1-oxidanylprop-2-ynyl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@]34[C@H](C#C)O
Structure:
CAS RN: 135052-76-5
CAS Name: 3-cyclopentylpropanoic acid [3-[(1R,5S)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] ester
OPENEYE Name: [3-[(1R,5S)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] 3-cyclopentylpropanoate
IUPAC Name: [3-[(1R,5S)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] 3-cyclopentylpropanoate
SYSTEMATIC NAME: [3-[(1R,5S)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] 3-cyclopentylpropanoate
MOLECULAR FORMULA: C31H41NO3
MOLECULAR WEIGHT: 475.66214
SMILES: COC1([C@@H]2CCC[C@H]1CN(C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)OC(=O)CCC5CCCC5
Structure:
CAS RN: 135001-09-1
CAS Name: 2-hydroxyethyl(dimethyl)selenonium
OPENEYE Name: 2-hydroxyethyl(dimethyl)selenonium
IUPAC Name: 2-hydroxyethyl(dimethyl)selanium
SYSTEMATIC NAME: 2-hydroxyethyl(dimethyl)selanium
MOLECULAR FORMULA: C4H11OSe+
MOLECULAR WEIGHT: 154.08954
SMILES: C[Se+](C)CCO
Structure:
CAS RN: 134998-76-8
CAS Name: 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene
OPENEYE Name: 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene
IUPAC Name: 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene
SYSTEMATIC NAME: 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene
MOLECULAR FORMULA: C20H15NO
MOLECULAR WEIGHT: 285.3392
SMILES: C1CCC2=C(C1)C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)N=O
Structure:
CAS RN: 134907-10-1
CAS Name: 1-ethyl-6-methoxyquinolin-1-ium chloride
OPENEYE Name: 1-ethyl-6-methoxy-quinolin-1-ium chloride
IUPAC Name: 1-ethyl-6-methoxyquinolin-1-ium chloride
SYSTEMATIC NAME: 1-ethyl-6-methoxy-quinolin-1-ium chloride
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: CC[N+]1=CC=CC2=C1C=CC(=C2)OC.[Cl-]
Structure:
CAS RN: 134907-09-8
CAS Name: 1-ethyl-6-methoxy-2H-quinoline
OPENEYE Name: 1-ethyl-6-methoxy-2H-quinoline
IUPAC Name: 1-ethyl-6-methoxy-2H-quinoline
SYSTEMATIC NAME: 1-ethyl-6-methoxy-2H-quinoline
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CCN1CC=CC2=C1C=CC(=C2)OC
Structure:
CAS RN: 134888-93-0
CAS Name: 5-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-3-isoxazolecarboxylic acid
OPENEYE Name: 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]isoxazole-3-carboxylic acid
IUPAC Name: 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
SYSTEMATIC NAME: 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
MOLECULAR FORMULA: C13H9F3N2O4
MOLECULAR WEIGHT: 314.21677
SMILES: CC1=C(C(=NO1)C(=O)O)C(=O)NC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 134822-40-5
CAS Name: acetic acid [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]isobenzofuran-1-yl] ester
OPENEYE Name: [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g]isobenzofuran-1-yl] acetate
IUPAC Name: [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl] acetate
SYSTEMATIC NAME: [(1S,5aS,9aS,9bR)-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-yl] ethanoate
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: CC(=O)O[C@H]1[C@H]2C(=CO1)CC[C@@H]3[C@@]2(CCCC3(C)C)C
Structure:
CAS RN: 5331-06-6
CAS Name: (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propylacetamide
OPENEYE Name: (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propyl-acetamide
IUPAC Name: (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-N-propylacetamide
SYSTEMATIC NAME: (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-N-propyl-ethanamide
MOLECULAR FORMULA: C24H35NO5
MOLECULAR WEIGHT: 417.5384
SMILES: CCCNC(=O)[C@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O
Structure:
CAS RN: 97073-66-0
CAS Name: 3-(2-aminoethyl)-4-methyl-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
OPENEYE Name: 3-(2-aminoethyl)-4-methyl-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
IUPAC Name: 3-(2-aminoethyl)-4-methyl-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid
SYSTEMATIC NAME: 3-(2-azanylethyl)-4-methyl-1H-indole-5,6-diol; 2-azanyl-3-methyl-4H-imidazol-5-one; sulfuric acid
MOLECULAR FORMULA: C15H23N5O7S
MOLECULAR WEIGHT: 417.43742
SMILES: CC1=C2C(=CC(=C1O)O)NC=C2CCN.CN1CC(=O)N=C1N.OS(=O)(=O)O
Structure:
CAS RN: 5039-09-8
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-
OPENEYE Name: (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]-N-[(1S)-1-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carbam
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-
SYSTEMATIC NAME: (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-az
MOLECULAR FORMULA: C68H114N14O14
MOLECULAR WEIGHT: 1351.71816
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N
Structure:
CAS RN: 85592-75-2
CAS Name: 4-amino-N-(1-phenylethyl)benzamide
OPENEYE Name: 4-amino-N-(1-phenylethyl)benzamide
IUPAC Name: 4-amino-N-(1-phenylethyl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(1-phenylethyl)benzamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 97042-55-2
CAS Name: 4-amino-N-(1-phenylethyl)benzamide
OPENEYE Name: 4-amino-N-(1-phenylethyl)benzamide
IUPAC Name: 4-amino-N-(1-phenylethyl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(1-phenylethyl)benzamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 3705-27-9
CAS Name: (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
OPENEYE Name: (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
IUPAC Name: (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SYSTEMATIC NAME: (8aS)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: C1C[C@H]2C(=O)NCC(=O)N2C1
Structure:
CAS RN: 4837-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1CC[C@H]2[C@@H]([C@@H]3CCC4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C
Structure:
CAS RN: 4627-10-5
CAS Name: (4R,4aS)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
OPENEYE Name: (4R,4aS)-4-[2-(diisopropylamino)ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
IUPAC Name: (4R,4aS)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
SYSTEMATIC NAME: (4R,4aS)-4-[2-[di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[1,2-c]pyrimidin-3-one
MOLECULAR FORMULA: C23H35N3O
MOLECULAR WEIGHT: 369.5435
SMILES: CC1=NC(=O)[C@]([C@H]2N1CCCC2)(CCN(C(C)C)C(C)C)C3=CC=CC=C3
Structure:
CAS RN: 134785-66-3
CAS Name: (8R,9S,10R,13S,14S,16R,17S)-17-(2-fluoranyl-1-oxoethyl)-13,16-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,16R,17S)-17-(2-fluoranylacetyl)-13,16-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,16R,17S)-17-(2-fluoranylacetyl)-13,16-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,16R,17S)-17-(2-fluoranylethanoyl)-13,16-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO2
MOLECULAR WEIGHT: 331.454698
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)C[18F])C
Structure:
CAS RN: 134782-20-0
CAS Name: (3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(3-fluoropropylthio)methyl]oxolane-3,4-diol
OPENEYE Name: (3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(3-fluoropropylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(3-fluoropropylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(3-fluoranylpropylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H18FN5O3S
MOLECULAR WEIGHT: 343.377123
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)CSCCCF)O)O
Structure:
CAS RN: 134780-94-2
CAS Name: (2-bromo-1-oxoethyl)phosphonic acid
OPENEYE Name: (2-bromoacetyl)phosphonic acid
IUPAC Name: (2-bromoacetyl)phosphonic acid
SYSTEMATIC NAME: 2-bromanylethanoylphosphonic acid
MOLECULAR FORMULA: C2H4BrO4P
MOLECULAR WEIGHT: 202.928521
SMILES: C(C(=O)P(=O)(O)O)Br
Structure:
CAS RN: 134665-24-0
CAS Name: acetic acid [(2S)-4,4-diethoxy-2-(hydroxymethyl)butyl] ester
OPENEYE Name: [(2S)-4,4-diethoxy-2-(hydroxymethyl)butyl] acetate
IUPAC Name: [(2S)-4,4-diethoxy-2-(hydroxymethyl)butyl] acetate
SYSTEMATIC NAME: [(2S)-4,4-diethoxy-2-(hydroxymethyl)butyl] ethanoate
MOLECULAR FORMULA: C11H22O5
MOLECULAR WEIGHT: 234.28938
SMILES: CCOC(C[C@@H](CO)COC(=O)C)OCC
Structure:
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