CAS RN: 102612-16-8
CAS Name: 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-4-benzofuranol
OPENEYE Name: 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-benzofuran-4-ol
IUPAC Name: 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
SYSTEMATIC NAME: 7-chloranyl-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
MOLECULAR FORMULA: C20H21ClO3
MOLECULAR WEIGHT: 344.83194
SMILES: CCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OC)C)Cl
Structure:
CAS RN: 102607-76-1
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylenehept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidenehept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-hept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H44O
MOLECULAR WEIGHT: 396.64836
SMILES: C[C@H](CCC(=C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 102606-26-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H33IN4O2
MOLECULAR WEIGHT: 582.491844
SMILES: C1C[C@@H]([C@H]([C@@H]2[C@H]1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)NCCC6=CC(=C(C=C6)N)[125I])O
Structure:
CAS RN: 102582-92-3
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfonylacetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfonylacetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfonylacetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfonylethanoic acid
MOLECULAR FORMULA: C14H22FNO7S
MOLECULAR WEIGHT: 367.390383
SMILES: C1=CC(=CC=C1F)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 102582-79-6
CAS Name: 6-chloro-1-[3-(dimethylamino)propyl]-3-methyl-2-quinoxalinone
OPENEYE Name: 6-chloro-1-[3-(dimethylamino)propyl]-3-methyl-quinoxalin-2-one
IUPAC Name: 6-chloro-1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
SYSTEMATIC NAME: 6-chloranyl-1-[3-(dimethylamino)propyl]-3-methyl-quinoxalin-2-one
MOLECULAR FORMULA: C14H18ClN3O
MOLECULAR WEIGHT: 279.76522
SMILES: CC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CCCN(C)C
Structure:
CAS RN: 102579-48-6
CAS Name: (2S)-N-(2-amino-1-oxoethyl)-2-[[(2E)-2-(carbamoylhydrazinylidene)ethyl]amino]-3-phenylpropanamide
OPENEYE Name: (2S)-N-(2-aminoacetyl)-2-[[(2E)-2-(carbamoylhydrazono)ethyl]amino]-3-phenyl-propanamide
IUPAC Name: (2S)-N-(2-aminoacetyl)-2-[[(2E)-2-(carbamoylhydrazinylidene)ethyl]amino]-3-phenylpropanamide
SYSTEMATIC NAME: (2S)-2-[[(2E)-2-(aminocarbonylhydrazinylidene)ethyl]amino]-N-(2-azanylethanoyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C14H20N6O3
MOLECULAR WEIGHT: 320.347
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)CN)NC/C=N/NC(=O)N
Structure:
CAS RN: 102568-47-8
CAS Name: 2,3-bis(4-methylphenyl)-1,3-dihydrotetrazol-3-ium-5-carbonitrile chloride
OPENEYE Name: 2,3-bis(p-tolyl)-1,3-dihydrotetrazol-3-ium-5-carbonitrile chloride
IUPAC Name: 2,3-bis(4-methylphenyl)-1,3-dihydrotetrazol-3-ium-5-carbonitrile chloride
SYSTEMATIC NAME: 2,3-bis(4-methylphenyl)-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carbonitrile chloride
MOLECULAR FORMULA: C16H16ClN5
MOLECULAR WEIGHT: 313.78474
SMILES: CC1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=C(C=C3)C)C#N.[Cl-]
Structure:
CAS RN: 102568-45-6
CAS Name: 1-[3-[(4-azidophenyl)disulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-[3-[(4-azidophenyl)disulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-[3-[(4-azidophenyl)disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-[3-[(4-azidophenyl)disulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C13H12N4O7S3
MOLECULAR WEIGHT: 432.45198
SMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSC2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O
Structure:
CAS RN: 102568-44-5
CAS Name: 4-[(4-azidophenyl)thio]butanimidothioic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate hydrochloride
IUPAC Name: ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate hydrochloride
SYSTEMATIC NAME: ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate hydrochloride
MOLECULAR FORMULA: C12H17ClN4S2
MOLECULAR WEIGHT: 316.87318
SMILES: CCSC(=N)CCCSC1=CC=C(C=C1)N=[N+]=[N-].Cl
Structure:
CAS RN: 102568-17-2
CAS Name: 4-(3,5,5-trimethyl-1-oxohexoxy)benzenesulfonic acid
OPENEYE Name: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid
IUPAC Name: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid
SYSTEMATIC NAME: 4-(3,5,5-trimethylhexanoyloxy)benzenesulfonic acid
MOLECULAR FORMULA: C15H22O5S
MOLECULAR WEIGHT: 314.39718
SMILES: CC(CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O)CC(C)(C)C
Structure:
CAS RN: 102535-14-8
CAS Name: 10-(1H-indol-4-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
OPENEYE Name: 10-(1H-indol-4-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
IUPAC Name: 10-(1H-indol-4-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
SYSTEMATIC NAME: 10-(1H-indol-4-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CN1CCCC2(C1CC3=C4C=CNC4=CC=C3)OCCO2
Structure:
CAS RN: 102520-50-3
CAS Name: 9-methyl-10-(phenylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane
OPENEYE Name: 10-benzyl-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
IUPAC Name: 10-benzyl-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
SYSTEMATIC NAME: 9-methyl-10-(phenylmethyl)-1,4-dioxa-9-azaspiro[4.5]decane
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CN1CCCC2(C1CC3=CC=CC=C3)OCCO2
Structure:
CAS RN: 102516-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H34N2O7
MOLECULAR WEIGHT: 618.67506
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(C=C5)C(=O)C6=NC=CC7=CC(=C(O3)C=C76)OC)OC)OC
Structure:
CAS RN: 102492-19-3
CAS Name: 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O8
MOLECULAR WEIGHT: 520.65486
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5=CC(=O)OC5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 102489-95-2
CAS Name: (2R)-2-hydroxy-N-[(2S)-3-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadecan-2-yl]octadecanamide
OPENEYE Name: (2R)-2-hydroxy-N-[(1S)-2-hydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadecyl]octadecanamide
IUPAC Name: (2R)-2-hydroxy-N-[(2S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]octadecanamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadecan-2-yl]-2-oxidanyl-octadecanamide
MOLECULAR FORMULA: C42H83NO9
MOLECULAR WEIGHT: 746.10972
SMILES: CCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(CCCCCCCCCCCCCCC)O)O
Structure:
CAS RN: 102430-61-5
CAS Name: 1-[(6-methyl-4-pyrimidinyl)amino]-3-[(6-methyl-4-pyrimidinyl)imino]urea
OPENEYE Name: 1-[(6-methylpyrimidin-4-yl)amino]-3-(6-methylpyrimidin-4-yl)imino-urea
IUPAC Name: 1-[(6-methylpyrimidin-4-yl)amino]-3-(6-methylpyrimidin-4-yl)iminourea
SYSTEMATIC NAME: 1-[(6-methylpyrimidin-4-yl)amino]-3-(6-methylpyrimidin-4-yl)imino-urea
MOLECULAR FORMULA: C11H12N8O
MOLECULAR WEIGHT: 272.26598
SMILES: CC1=CC(=NC=N1)NNC(=O)N=NC2=NC=NC(=C2)C
Structure:
CAS RN: 102419-16-9
CAS Name: 2-(aminomethyl)oxane-3,4,5-triol
OPENEYE Name: 2-(aminomethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(aminomethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(aminomethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C1C(C(C(C(O1)CN)O)O)O
Structure:
CAS RN: 102417-94-7
CAS Name: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)-1-naphthalenesulfonamide
OPENEYE Name: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
IUPAC Name: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
SYSTEMATIC NAME: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
MOLECULAR FORMULA: C19H17N3O2S2
MOLECULAR WEIGHT: 383.48718
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S
Structure:
CAS RN: 102417-03-8
CAS Name: N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamic acid propyl ester
OPENEYE Name: propyl N-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]carbamate
IUPAC Name: propyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
SYSTEMATIC NAME: propyl N-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]carbamate
MOLECULAR FORMULA: C16H26N2O4
MOLECULAR WEIGHT: 310.38864
SMILES: CCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
Structure:
CAS RN: 102416-28-4
CAS Name: 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-[(2-carboxyphenyl)-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxy-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
IUPAC Name: 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxyphenyl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
MOLECULAR FORMULA: C46H56O8
MOLECULAR WEIGHT: 736.93204
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC=C4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O
Structure:
CAS RN: 102416-27-3
CAS Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-[(2-carboxyphenyl)-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxy-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid
IUPAC Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxyphenyl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid
MOLECULAR FORMULA: C46H58O8
MOLECULAR WEIGHT: 738.94792
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O
Structure:
CAS RN: 102415-55-4
CAS Name: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]-1-naphthalenesulfonic acid
OPENEYE Name: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
IUPAC Name: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 5-[2-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C22H28N7O15P3S
MOLECULAR WEIGHT: 755.481903
SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O
Structure:
CAS RN: 102402-47-1
CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3-(hydroxymethyl)-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one
IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C25H29ClN2O4
MOLECULAR WEIGHT: 456.96176
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)CO
Structure:
CAS RN: 102396-29-2
CAS Name: 6-chloro-5-methyl-2-(1-piperazinyl)-N-propan-2-yl-4-pyrimidinamine
OPENEYE Name: 6-chloro-N-isopropyl-5-methyl-2-piperazin-1-yl-pyrimidin-4-amine
IUPAC Name: 6-chloro-5-methyl-2-piperazin-1-yl-N-propan-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-5-methyl-2-piperazin-1-yl-N-propan-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C12H20ClN5
MOLECULAR WEIGHT: 269.7737
SMILES: CC1=C(N=C(N=C1Cl)N2CCNCC2)NC(C)C
Structure:
CAS RN: 102392-27-8
CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-4-methyl-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C25H27ClN2O5
MOLECULAR WEIGHT: 470.94528
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)C(=O)O
Structure:
CAS RN: 104672-12-0
CAS Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-trimethylsilyloxyethyl]aniline
OPENEYE Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxy-ethyl]aniline
IUPAC Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxyethyl]aniline
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxy-ethyl]aniline
MOLECULAR FORMULA: C25H37Cl2N3O4Si
MOLECULAR WEIGHT: 542.57048
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(C3=CC(=C(C(=C3)Cl)N)Cl)O[Si](C)(C)C)OC)OC
Structure:
CAS RN: 102390-96-5
CAS Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-trimethylsilyloxyethyl]aniline dihydrochloride
OPENEYE Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxy-ethyl]aniline dihydrochloride
IUPAC Name: 2,6-dichloro-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxyethyl]aniline dihydrochloride
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1-trimethylsilyloxy-ethyl]aniline dihydrochloride
MOLECULAR FORMULA: C25H39Cl4N3O4Si
MOLECULAR WEIGHT: 615.49236
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(C3=CC(=C(C(=C3)Cl)N)Cl)O[Si](C)(C)C)OC)OC.Cl.Cl
Structure:
CAS RN: 102386-48-1
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MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C[C@@H](C(=C)C6)C(=O)[C@@H]7C4N5C2
Structure:
CAS RN: 102386-47-0
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MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C(=O)[C@H](C[C@@H]6C4N5C2)C(=C)C7
Structure:
CAS RN: 102362-49-2
CAS Name: (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-7,10,13-trimethyl-3,7,12-tris(oxidanyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C25H42O5
MOLECULAR WEIGHT: 422.59798
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3[C@H]2[C@](C[C@H]4[C@@]3(CC[C@H](C4)O)C)(C)O)O)C
Structure:
CAS RN: 102358-20-3
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MOLECULAR FORMULA: C20H27NO
MOLECULAR WEIGHT: 297.43448
SMILES: CC12CCCC34C1C5CC67C3CC(C(C6C4N5C2)O)C(=C)C7
Structure:
CAS RN: 102342-72-3
CAS Name: N-[6-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[6-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]-1H-benzimidazol-2-yl]carbamate
IUPAC Name: methyl N-[6-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]-1H-benzimidazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[6-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]carbonyl]-1H-benzimidazol-2-yl]carbamate
MOLECULAR FORMULA: C19H16N6O5
MOLECULAR WEIGHT: 408.36754
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)OC
Structure:
CAS RN: 102334-63-4
CAS Name: (2S,5S,11S,14S,24S)-24-amino-11-butan-2-yl-14-[2-(methylthio)ethyl]-2,5-bis(phenylmethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
OPENEYE Name: (2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-14-(2-methylsulfanylethyl)-11-sec-butyl-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
IUPAC Name: (2S,5S,11S,14S,24S)-24-amino-2,5-dibenzyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
SYSTEMATIC NAME: (2S,5S,11S,14S,24S)-24-azanyl-11-butan-2-yl-14-(2-methylsulfanylethyl)-2,5-bis(phenylmethyl)-1,4,7,10,13,16,20-heptazacyclopentacosane-3,6,9,12,15,21,25-heptone
MOLECULAR FORMULA: C39H56N8O7S
MOLECULAR WEIGHT: 780.97634
SMILES: CCC(C)[C@H]1C(=O)N[C@H](C(=O)NCCCNC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC2=CC=CC=C2)CC3=CC=CC=C3)N)CCSC
Structure:
CAS RN: 102304-70-1
CAS Name: 3,4-dihydroxy-6-[[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)-3-oxolanyl]oxy]-5-sulfooxy-2-oxanecarboxylic acid
OPENEYE Name: 3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: 3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
SYSTEMATIC NAME: 6-[2-(hydroxymethyl)-4-oxidanyl-5-(sulfooxymethyl)oxolan-3-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C12H20O17S2
MOLECULAR WEIGHT: 500.407
SMILES: C(C1C(C(C(O1)COS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)OS(=O)(=O)O)O
Structure:
CAS RN: 102292-66-0
CAS Name: [(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]methylphosphonic acid
OPENEYE Name: [(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methylphosphonic acid
IUPAC Name: [(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methylphosphonic acid
SYSTEMATIC NAME: [(2S,3S,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methylphosphonic acid
MOLECULAR FORMULA: C6H14O10P2
MOLECULAR WEIGHT: 308.116882
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O
Structure:
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