CAS RN: 131436-22-1
CAS Name: (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-4-dibenzofurancarboxamide
OPENEYE Name: (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-dibenzofuran-4-carboxamide
IUPAC Name: (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
SYSTEMATIC NAME: (9aS)-8-ethanoyl-9a-methyl-1,3,7-tris(oxidanyl)-9-oxidanylidene-dibenzofuran-4-carboxamide
MOLECULAR FORMULA: C16H13NO7
MOLECULAR WEIGHT: 331.27692
SMILES: CC(=O)C1=C(C=C2[C@@](C1=O)(C3=C(C=C(C(=C3O2)C(=O)N)O)O)C)O
Structure:
CAS RN: 131406-69-4
CAS Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-2-pyridinone
OPENEYE Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)pyridin-2-one
IUPAC Name: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)pyridin-2-one
SYSTEMATIC NAME: 1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)pyridin-2-one
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=O)O)C
Structure:
CAS RN: 131403-79-7
CAS Name: (6R,7R)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
OPENEYE Name: (6R,7R)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
IUPAC Name: (6R,7R)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
SYSTEMATIC NAME: (6R,7R)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
MOLECULAR FORMULA: C19H17NO2S
MOLECULAR WEIGHT: 323.40878
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CN3C4=CC=CC=C4S2)O
Structure:
CAS RN: 131400-71-0
CAS Name: acetic acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: acetic acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: acetic acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid; ethanoic acid
MOLECULAR FORMULA: C22H36N4O10
MOLECULAR WEIGHT: 516.54204
SMILES: CC(=O)O.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)N)O
Structure:
CAS RN: 131374-18-0
CAS Name: N-[2-(2-sulfanylidene-4-morpholinyl)ethyl]-2-propenamide
OPENEYE Name: N-[2-(2-thioxomorpholin-4-yl)ethyl]prop-2-enamide
IUPAC Name: N-[2-(2-sulfanylidenemorpholin-4-yl)ethyl]prop-2-enamide
SYSTEMATIC NAME: N-[2-(2-sulfanylidenemorpholin-4-yl)ethyl]prop-2-enamide
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: C=CC(=O)NCCN1CCOC(=S)C1
Structure:
CAS RN: 131356-86-0
CAS Name: 5-(4,6-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl ester
OPENEYE Name: 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
SYSTEMATIC NAME: 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl 5-(4,6-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C38H43N4O7P
MOLECULAR WEIGHT: 698.744381
SMILES: CC1CC(OP(=O)(O1)C2=C(N=C(C(=C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C)C)C
Structure:
CAS RN: 131333-59-0
CAS Name: 4-[amino-(4-azido-2-nitrophenyl)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol
OPENEYE Name: 4-[amino-(4-azido-2-nitro-phenyl)methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
IUPAC Name: 4-[amino-(4-azido-2-nitrophenyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SYSTEMATIC NAME: 4-[azanyl-(4-azido-2-nitro-phenyl)methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
MOLECULAR FORMULA: C14H14N6O4
MOLECULAR WEIGHT: 330.29876
SMILES: CC1=NC=C(C(=C1O)C(C2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])N)CO
Structure:
CAS RN: 131293-20-4
CAS Name: [(2R,3S,4R,5S)-5-[[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C15H22N5O12P
MOLECULAR WEIGHT: 495.335241
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)NC(=NC2=O)N
Structure:
CAS RN: 131275-92-8
CAS Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde
OPENEYE Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde
IUPAC Name: 4-(8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde
SYSTEMATIC NAME: 4-(8-chloranyl-3-methyl-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzaldehyde
MOLECULAR FORMULA: C18H18ClNO2
MOLECULAR WEIGHT: 315.79402
SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)C=O)O)Cl
Structure:
CAS RN: 131275-84-8
CAS Name: 3-carbamoyl-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 3-carbamoyl-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name: propan-2-yl 3-carbamoyl-4-(3-chlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: propan-2-yl 3-aminocarbonyl-4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H18ClN3O4
MOLECULAR WEIGHT: 351.78482
SMILES: CC1=C(C(N(C(=O)N1)C(=O)N)C2=CC(=CC=C2)Cl)C(=O)OC(C)C
Structure:
CAS RN: 131274-05-0
CAS Name: 3-[[[2-[[2-[[2-[[2-[2-[2-(2,5-dioxo-1-pyrrolyl)ethoxy]ethylamino]-1-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]thio]-oxomethyl]benzoic acid
OPENEYE Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethylamino]acetyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanylcarbonylbenzoic acid
IUPAC Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethylamino]acetyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylcarbonylbenzoic acid
SYSTEMATIC NAME: 3-[2-[[2-[[2-[2-[2-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethoxy]ethylamino]ethanoylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylcarbonylbenzoic acid
MOLECULAR FORMULA: C24H27N5O10S
MOLECULAR WEIGHT: 577.56368
SMILES: C1=CC(=CC(=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NC(=O)CNCCOCCN2C(=O)C=CC2=O)C(=O)O
Structure:
CAS RN: 131274-04-9
CAS Name: 3-[[[2-[[2-[[2-[[2-[2-[2-(2,5-dioxo-1-pyrrolyl)ethoxy]ethoxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]thio]-oxomethyl]benzoic acid
OPENEYE Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanylcarbonylbenzoic acid
IUPAC Name: 3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylcarbonylbenzoic acid
SYSTEMATIC NAME: 3-[2-[[2-[[2-[[2-[2-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethoxy]ethoxy]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylcarbonylbenzoic acid
MOLECULAR FORMULA: C24H26N4O11S
MOLECULAR WEIGHT: 578.54844
SMILES: C1=CC(=CC(=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)OCCOCCN2C(=O)C=CC2=O)C(=O)O
Structure:
CAS RN: 131238-06-7
CAS Name: 2-(4-azido-2,3,5,6-tetrafluorophenyl)-4-thiazolecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-azido-2,3,5,6-tetrafluoro-phenyl)thiazole-4-carboxylate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-azido-2,3,5,6-tetrafluorophenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C14H5F4N5O4S
MOLECULAR WEIGHT: 415.279213
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CSC(=N2)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F
Structure:
CAS RN: 131202-22-7
CAS Name: (2S)-2-amino-4-(butan-2-ylsulfonimidoyl)butanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-amino-4-(sec-butylsulfonimidoyl)butanoate
IUPAC Name: ethyl (2S)-2-amino-4-(butan-2-ylsulfonimidoyl)butanoate
SYSTEMATIC NAME: ethyl (2S)-2-azanyl-4-(butan-2-ylsulfonimidoyl)butanoate
MOLECULAR FORMULA: C10H22N2O3S
MOLECULAR WEIGHT: 250.35828
SMILES: CCC(C)S(=N)(=O)CC[C@@H](C(=O)OCC)N
Structure:
CAS RN: 131190-63-1
CAS Name: 1,3,8,10,11-pentahydroxytetracene-5,12-dione
OPENEYE Name: 1,3,8,10,11-pentahydroxytetracene-5,12-dione
IUPAC Name: 1,3,8,10,11-pentahydroxytetracene-5,12-dione
SYSTEMATIC NAME: 1,3,8,10,11-pentakis(oxidanyl)tetracene-5,12-dione
MOLECULAR FORMULA: C18H10O7
MOLECULAR WEIGHT: 338.2678
SMILES: C1=C2C=C(C=C(C2=C(C3=C1C(=O)C4=CC(=CC(=C4C3=O)O)O)O)O)O
Structure:
CAS RN: 131190-56-2
CAS Name: N-[(1S)-1-(4-methoxy-6-oxo-2-pyranyl)-2-phenylethyl]acetamide
OPENEYE Name: N-[(1S)-1-(4-methoxy-6-oxo-pyran-2-yl)-2-phenyl-ethyl]acetamide
IUPAC Name: N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(4-methoxy-6-oxidanylidene-pyran-2-yl)-2-phenyl-ethyl]ethanamide
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC
Structure:
CAS RN: 131189-57-6
CAS Name: (2R,3S,4R)-3-ethenyl-4-[2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]ethyl]-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
OPENEYE Name: methyl (2R,3S,4R)-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC Name: methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
SYSTEMATIC NAME: methyl (2R,3S,4R)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyethyl]-3,4-dihydro-2H-pyran-5-carboxylate
MOLECULAR FORMULA: C24H30O14
MOLECULAR WEIGHT: 542.4866
SMILES: COC(=O)C1=CO[C@@H]([C@H]([C@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 131179-94-7
CAS Name: 2-[4-[2-(3,5-dichloroanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
OPENEYE Name: 2-[4-[2-(3,5-dichloroanilino)-2-oxo-ethyl]phenoxy]-2-methyl-propanoic acid
IUPAC Name: 2-[4-[2-(3,5-dichloroanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[4-[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]phenoxy]-2-methyl-propanoic acid
MOLECULAR FORMULA: C18H17Cl2NO4
MOLECULAR WEIGHT: 382.23788
SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 131177-50-9
CAS Name: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
OPENEYE Name: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
IUPAC Name: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
SYSTEMATIC NAME: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,10-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
MOLECULAR FORMULA: C30H48O5
MOLECULAR WEIGHT: 488.69912
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@H]1C[C@]([C@@H](C2)O)(C)C(=O)O)C
Structure:
CAS RN: 131167-89-0
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C25H48N6O6
MOLECULAR WEIGHT: 528.68522
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)N
Structure:
CAS RN: 131134-91-3
CAS Name: 5-(2-chloro-6-methylphenyl)sulfonyl-1-methyl-4-nitroimidazole
OPENEYE Name: 5-(2-chloro-6-methyl-phenyl)sulfonyl-1-methyl-4-nitro-imidazole
IUPAC Name: 5-(2-chloro-6-methylphenyl)sulfonyl-1-methyl-4-nitroimidazole
SYSTEMATIC NAME: 5-(2-chloranyl-6-methyl-phenyl)sulfonyl-1-methyl-4-nitro-imidazole
MOLECULAR FORMULA: C11H10ClN3O4S
MOLECULAR WEIGHT: 315.7328
SMILES: CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-]
Structure:
CAS RN: 131123-57-4
CAS Name: 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4-pyranone
OPENEYE Name: 5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one
IUPAC Name: 5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one
SYSTEMATIC NAME: 5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: CC(C1=COC(=CC1=O)CO)O
Structure:
CAS RN: 131123-56-3
CAS Name: 3,6-bis(hydroxymethyl)-2-methyl-4-pyranone
OPENEYE Name: 3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one
IUPAC Name: 3,6-bis(hydroxymethyl)-2-methylpyran-4-one
SYSTEMATIC NAME: 3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: CC1=C(C(=O)C=C(O1)CO)CO
Structure:
CAS RN: 131112-58-8
CAS Name: 4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione
OPENEYE Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione
IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione
SYSTEMATIC NAME: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione
MOLECULAR FORMULA: C21H25N5O3
MOLECULAR WEIGHT: 395.4549
SMILES: C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=NC=CC=N4
Structure:
CAS RN: 131087-49-5
CAS Name: N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylamino)propyl]-2-propenamide
OPENEYE Name: N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylamino)propyl]prop-2-enamide
IUPAC Name: N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylamino)propyl]prop-2-enamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylamino)propyl]prop-2-enamide
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: C=CC(=O)N(CCCNCCO)CCO
Structure:
CAS RN: 131080-42-7
CAS Name: 8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
OPENEYE Name: 8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name: 8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H26N4O2
MOLECULAR WEIGHT: 330.42464
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4CC4
Structure:
CAS RN: 131077-42-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22O2
MOLECULAR WEIGHT: 306.39818
SMILES: C[C@]12CCC3=C([C@@H]1CCC2O)COC4=C3C=CC5=CC=CC=C54
Structure:
CAS RN: 131073-99-9
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-1-cyclohexa-2,4-dienethione
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione
MOLECULAR FORMULA: C31H46O7S
MOLECULAR WEIGHT: 562.75774
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=S)CC=C5)O)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 131068-49-0
CAS Name: (3R)-3-[[3-(acetylthio)-3-methyl-1-oxobutyl]-(2,5-dioxo-1-pyrrolidinyl)amino]-3-sulfopropanoic acid
OPENEYE Name: (3R)-3-[(3-acetylsulfanyl-3-methyl-butanoyl)-(2,5-dioxopyrrolidin-1-yl)amino]-3-sulfo-propanoic acid
IUPAC Name: (3R)-3-[(3-acetylsulfanyl-3-methylbutanoyl)-(2,5-dioxopyrrolidin-1-yl)amino]-3-sulfopropanoic acid
SYSTEMATIC NAME: (3R)-3-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-(3-ethanoylsulfanyl-3-methyl-butanoyl)amino]-3-sulfo-propanoic acid
MOLECULAR FORMULA: C14H20N2O9S2
MOLECULAR WEIGHT: 424.4466
SMILES: CC(=O)SC(C)(C)CC(=O)N([C@@H](CC(=O)O)S(=O)(=O)O)N1C(=O)CCC1=O
Structure:
CAS RN: 131062-91-4
CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide; sulfuric acid
OPENEYE Name: N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide; sulfuric acid
IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide; sulfuric acid
SYSTEMATIC NAME: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide; sulfuric acid
MOLECULAR FORMULA: C10H15NO7S
MOLECULAR WEIGHT: 293.2936
SMILES: CC(=O)NCCC1=CC(=C(C=C1)O)O.OS(=O)(=O)O
Structure:
No comments:
Post a Comment