CAS RN: 929106-58-1
CAS Name: 1-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol
OPENEYE Name: 1-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
IUPAC Name: 1-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SYSTEMATIC NAME: 1-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 411.505049
SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=CC2=C1C3=CC=CC=C3N2)O)NCCOC4=CC=CC=C4OC
CAS RN: 81346-72-7
CAS Name: 2-[4-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
OPENEYE Name: 2-[4-[2-hydroxy-3-[[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]amino]propoxy]phenyl]acetamide
IUPAC Name: 2-[4-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
SYSTEMATIC NAME: 2-[4-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-2-oxidanyl-propoxy]phenyl]ethanamide
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 272.373051
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(COC1=CC=C(C=C1)CC(=O)N)O
CAS RN: 1216894-33-5
CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol dihydrochloride
OPENEYE Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol dihydrochloride
IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol dihydrochloride
SYSTEMATIC NAME: 4-[(7-chloranylquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol dihydrochloride
MOLECULAR FORMULA: C18H20Cl3N3O
MOLECULAR WEIGHT: 405.760709
SMILES: [2H]C([2H])([2H])C([2H])([2H])NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
CAS RN: 79049-30-2
CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-(ethylaminomethyl)phenol dihydrochloride
OPENEYE Name: 4-[(7-chloro-4-quinolyl)amino]-2-(ethylaminomethyl)phenol dihydrochloride
IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol dihydrochloride
SYSTEMATIC NAME: 4-[(7-chloranylquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol dihydrochloride
MOLECULAR FORMULA: C18H20Cl3N3O
MOLECULAR WEIGHT: 400.7299
SMILES: CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
CAS RN: 1185246-14-3
CAS Name: 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
OPENEYE Name: O3-ethyl O5-methyl 2-[(2-amino-1,1,2,2-tetradeuterio-ethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-ethyl 5-O-methyl 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 2-[(2-azanyl-1,1,2,2-tetradeuterio-ethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H25ClN2O5
MOLECULAR WEIGHT: 412.900547
SMILES: [2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OCC)N
CAS RN: 1020718-78-8
CAS Name: sulfuric acid [4-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl] ester
OPENEYE Name: [4-[(2,2,2-trideuterioacetyl)amino]phenyl] hydrogen sulfate
IUPAC Name: [4-[(2,2,2-trideuterioacetyl)amino]phenyl] hydrogen sulfate
SYSTEMATIC NAME: [4-(2,2,2-trideuterioethanoylamino)phenyl] hydrogen sulfate
MOLECULAR FORMULA: C8H9NO5S
MOLECULAR WEIGHT: 234.244245
SMILES: [2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)OS(=O)(=O)O
CAS RN: 1188263-45-7
CAS Name: potassium [4-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl] sulfate
OPENEYE Name: potassium [4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate
IUPAC Name: potassium [4-[(2,2,2-trideuterioacetyl)amino]phenyl] sulfate
SYSTEMATIC NAME: potassium [4-(2,2,2-trideuterioethanoylamino)phenyl] sulfate
MOLECULAR FORMULA: C8H8KNO5S
MOLECULAR WEIGHT: 272.334605
SMILES: [2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
CAS RN: 169458-04-2
CAS Name: 2-(4-piperidinyl)acetic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-(4-piperidyl)acetate hydrochloride
IUPAC Name: ethyl 2-piperidin-4-ylacetate hydrochloride
SYSTEMATIC NAME: ethyl 2-piperidin-4-ylethanoate hydrochloride
MOLECULAR FORMULA: C9H18ClNO2
MOLECULAR WEIGHT: 207.69772
SMILES: CCOC(=O)CC1CCNCC1.Cl
CAS RN: 865157-03-5
CAS Name: 2-(3-piperidinyl)acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-(3-piperidyl)acetate hydrochloride
IUPAC Name: methyl 2-piperidin-3-ylacetate hydrochloride
SYSTEMATIC NAME: methyl 2-piperidin-3-ylethanoate hydrochloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: COC(=O)CC1CCCNC1.Cl
CAS RN: 848133-35-7
CAS Name: (E)-4-(dimethylamino)-2-butenoic acid hydrochloride
OPENEYE Name: (E)-4-(dimethylamino)but-2-enoic acid hydrochloride
IUPAC Name: (E)-4-(dimethylamino)but-2-enoic acid hydrochloride
SYSTEMATIC NAME: (E)-4-(dimethylamino)but-2-enoic acid hydrochloride
MOLECULAR FORMULA: C6H12ClNO2
MOLECULAR WEIGHT: 165.61798
SMILES: CN(C)C/C=C/C(=O)O.Cl
CAS RN: 114834-79-6
CAS Name: 1-(4-butylcyclohexyl)-4-iodobenzene
OPENEYE Name: 1-(4-butylcyclohexyl)-4-iodo-benzene
IUPAC Name: 1-(4-butylcyclohexyl)-4-iodobenzene
SYSTEMATIC NAME: 1-(4-butylcyclohexyl)-4-iodanyl-benzene
MOLECULAR FORMULA: C16H23I
MOLECULAR WEIGHT: 342.25829
SMILES: CCCCC1CCC(CC1)C2=CC=C(C=C2)I
CAS RN: 124935-89-3
CAS Name: (E)-2-butenedioic acid; 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)-1-propanamine
OPENEYE Name: N,N-diisopropyl-3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(2-methoxy-5-methyl-phenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
MOLECULAR FORMULA: C27H37NO5
MOLECULAR WEIGHT: 455.58638
SMILES: CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
CAS RN: 96558-17-7
CAS Name: piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O3-tert-butyl piperazine-1,3-dicarboxylate
IUPAC Name: 1-O-benzyl 3-O-tert-butyl piperazine-1,3-dicarboxylate
SYSTEMATIC NAME: O3-tert-butyl O1-(phenylmethyl) piperazine-1,3-dicarboxylate
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CC(C)(C)OC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2
CAS RN: 29868-97-1
CAS Name: 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate hydrochloride
OPENEYE Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate hydrochloride
IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate hydrochloride
SYSTEMATIC NAME: 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one hydrate hydrochloride
MOLECULAR FORMULA: C19H24ClN5O3
MOLECULAR WEIGHT: 405.87856
SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.O.Cl
CAS RN: 889943-82-2
CAS Name: N-[(E)-amino-(4-methoxy-3-indolylidene)methyl]hydroxylamine
OPENEYE Name: N-[(E)-amino-(4-methoxyindol-3-ylidene)methyl]hydroxylamine
IUPAC Name: N-[(E)-amino-(4-methoxyindol-3-ylidene)methyl]hydroxylamine
SYSTEMATIC NAME: N-[(E)-azanyl-(4-methoxyindol-3-ylidene)methyl]hydroxylamine
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: COC1=CC=CC2=C1/C(=C(/N)\NO)/C=N2
CAS RN: 903094-83-7
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)tetralin-2-carboxylic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CC1C(=O)O
CAS RN: 1027511-30-3
CAS Name: 6-(2-furanyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
OPENEYE Name: 6-(2-furyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
IUPAC Name: 6-(furan-2-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-(furan-2-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C13H7F3N2O3
MOLECULAR WEIGHT: 296.20149
SMILES: C1=COC(=C1)C2=NC3=C(C=C(N3)C(=O)O)C(=C2)C(F)(F)F
CAS RN: 83-49-8
CAS Name: (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
CAS RN: 78111-17-8
CAS Name: (2R)-3-[(4R,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-7-hyd
OPENEYE Name: (2R)-3-[(4R,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-a
IUPAC Name: (2R)-3-[(4R,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-h
SYSTEMATIC NAME: (2R)-3-[(4R,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6S,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]
MOLECULAR FORMULA: C44H68O13
MOLECULAR WEIGHT: 805.00292
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O
CAS RN: 114899-77-3
CAS Name:
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MOLECULAR FORMULA: C39H43N3O11S
MOLECULAR WEIGHT: 761.83722
SMILES: CC1=C(C(=C2[C@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H]([C@H](N3C)CC2=C1)O)COC(=O)[C@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
CAS RN: 5566-34-7
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MOLECULAR FORMULA: C10H6Cl8
MOLECULAR WEIGHT: 409.77864
SMILES: C1[C@@H]2[C@H](CC1(Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
CAS RN: 13292-47-2
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MOLECULAR FORMULA: C51H66N4O12
MOLECULAR WEIGHT: 927.08934
SMILES: C[C@@H]1CN(C[C@@H](N1N/C=C/2\C3=C(C4=C(C(=C5C(=C4C2=O)C(=O)[C@](O5)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C)CC6=CC=CC=C6
CAS RN: 13292-46-1
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MOLECULAR FORMULA: C43H58N4O12
MOLECULAR WEIGHT: 822.94022
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
CAS RN: 101144-34-7
CAS Name: (3S,5R,7S,8R,9S,10S,12R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
OPENEYE Name: (3S,5R,7S,8R,9S,10S,12R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
IUPAC Name: (3S,5R,7S,8R,9S,10S,12R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SYSTEMATIC NAME: (3S,5R,7S,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
MOLECULAR FORMULA: C27H48O4
MOLECULAR WEIGHT: 436.66762
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C
CAS RN: 61379-65-5
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MOLECULAR FORMULA: C47H64N4O12
MOLECULAR WEIGHT: 877.03066
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
CAS RN: 60-54-8
CAS Name: (2Z,4S,4aS,5aS,6S)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: (2Z,4S,4aS,5aS,6S)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: (2Z,4S,4aS,5aS,6S)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C22H24N2O8
MOLECULAR WEIGHT: 444.43456
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
CAS RN: 550-33-4
CAS Name: (2S,3R,4S,5S)-2-(hydroxymethyl)-5-(9-purinyl)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4S,5S)-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4S,5S)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol
MOLECULAR FORMULA: C10H12N4O4
MOLECULAR WEIGHT: 252.22668
SMILES: C1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
CAS RN: 39007-51-7
CAS Name: (2S,3S,4S,5S)-2-(hydroxymethyl)-5-(3-imidazo[2,1-f]purinyl)oxolane-3,4-diol
OPENEYE Name: (2S,3S,4S,5S)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3S,4S,5S)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3S,4S,5S)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yl-oxolane-3,4-diol
MOLECULAR FORMULA: C12H13N5O4
MOLECULAR WEIGHT: 291.26272
SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3[C@@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O
CAS RN: 188627-80-7
CAS Name: 2-[(3R,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
OPENEYE Name: 2-[(3R,6S,12S,20R,23S)-20-carbamoyl-12-(4-guanidinobutyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
IUPAC Name: 2-[(3R,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
SYSTEMATIC NAME: 2-[(3R,6S,12S,20R,23S)-20-aminocarbonyl-12-[4-[bis(azanyl)methylideneamino]butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexakis(oxidanylidene)-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]ethanoic acid
MOLECULAR FORMULA: C35H49N11O9S2
MOLECULAR WEIGHT: 831.96186
SMILES: C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
CAS RN: 119980-37-9
CAS Name: (2S)-5-chloro-1,3,3-trimethylspiro[indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
OPENEYE Name: (2S)-5-chloro-1,3,3-trimethyl-spiro[indoline-2,2'-phenanthro[9,10-b][1,4]oxazine]
IUPAC Name: (2S)-5-chloro-1,3,3-trimethylspiro[indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
SYSTEMATIC NAME: (2S)-5-chloranyl-1,3,3-trimethyl-spiro[indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
MOLECULAR FORMULA: C26H21ClN2O
MOLECULAR WEIGHT: 412.91074
SMILES: CC1(C2=C(C=CC(=C2)Cl)N([C@@]13C=NC4=C(O3)C5=CC=CC=C5C6=CC=CC=C64)C)C
CAS RN: 95424-17-2
CAS Name: N-(9-anthracenylmethyl)-2-chloro-N-ethylethanamine hydrochloride
OPENEYE Name: N-(9-anthrylmethyl)-2-chloro-N-ethyl-ethanamine hydrochloride
IUPAC Name: N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine hydrochloride
SYSTEMATIC NAME: N-(anthracen-9-ylmethyl)-2-chloranyl-N-ethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H21Cl2N
MOLECULAR WEIGHT: 334.28274
SMILES: CCN(CCCl)CC1=C2C=CC=CC2=CC3=CC=CC=C31.Cl
CAS RN: 85785-20-2
CAS Name: N-ethyl-N-[(2S)-3-methylbutan-2-yl]carbamothioic acid S-(phenylmethyl) ester
OPENEYE Name: S-benzyl N-[(1S)-1,2-dimethylpropyl]-N-ethyl-carbamothioate
IUPAC Name: S-benzyl N-ethyl-N-[(2S)-3-methylbutan-2-yl]carbamothioate
SYSTEMATIC NAME: S-(phenylmethyl) N-ethyl-N-[(2S)-3-methylbutan-2-yl]carbamothioate
MOLECULAR FORMULA: C15H23NOS
MOLECULAR WEIGHT: 265.41422
SMILES: CCN([C@@H](C)C(C)C)C(=O)SCC1=CC=CC=C1
CAS RN: 209331-43-1
CAS Name: N-propylcarbamic acid [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] ester
OPENEYE Name: [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-propylcarbamate
IUPAC Name: [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-propylcarbamate
SYSTEMATIC NAME: [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxidanylidene-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-propylcarbamate
MOLECULAR FORMULA: C21H30N2O4
MOLECULAR WEIGHT: 374.4739
SMILES: CCCNC(=O)O[C@@H]1[C@@H]([C@]2(CC3=C(C(=O)N(C3=CC2=C[C@H]1OC)C)C)C)C
CAS RN: 1565-94-2
CAS Name: 2-methyl-2-propenoic acid [(2R)-2-hydroxy-3-[4-[2-[4-[(2S)-2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] ester
OPENEYE Name: [(2R)-2-hydroxy-3-[4-[1-[4-[(2S)-2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-1-methyl-ethyl]phenoxy]propyl] 2-methylprop-2-enoate
IUPAC Name: [(2R)-2-hydroxy-3-[4-[2-[4-[(2S)-2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(2R)-3-[4-[2-[4-[(2S)-3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propoxy]phenyl]propan-2-yl]phenoxy]-2-oxidanyl-propyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C29H36O8
MOLECULAR WEIGHT: 512.59134
SMILES: CC(=C)C(=O)OC[C@@H](COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](COC(=O)C(=C)C)O)O
CAS RN: 125640-33-7
CAS Name:
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MOLECULAR FORMULA: C54H84O32S3
MOLECULAR WEIGHT: 1341.42056
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](CO[C@@H]2O[C@@H]3CC[C@@]4([C@@H]5CC[C@@]67[C@@H](C(=O)C[C@@]6(C5=CC[C@@H]4C3(C)C)C)[C@@](OC7=O)(C)CC(=O)CC(C)C)C)OS(=O)(=O)O)O)O)O)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)COS(=O)(=O)O)O)O[C@@H]9[
CAS RN: 92631-72-6
CAS Name: 9-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 9-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuro[3,2-c]chromen-6-one
IUPAC Name: 9-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9-oxidanyl-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C21H18O10
MOLECULAR WEIGHT: 430.36162
SMILES: C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
CAS RN: 5103-74-2
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MOLECULAR FORMULA: C10H6Cl8
MOLECULAR WEIGHT: 409.77864
SMILES: C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
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