CAS RN: 135824-74-7
CAS Name: (1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloro-1-propanol dihydrochloride
OPENEYE Name: (1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloro-propan-1-ol dihydrochloride
IUPAC Name: (1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol dihydrochloride
SYSTEMATIC NAME: (1S,2S)-3-azanyl-1-(2-azanyl-1H-imidazol-5-yl)-2-chloranyl-propan-1-ol dihydrochloride
MOLECULAR FORMULA: C6H13Cl3N4O
MOLECULAR WEIGHT: 263.55262
SMILES: C1=C(NC(=N1)N)[C@@H]([C@H](CN)Cl)O.Cl.Cl
Structure:
CAS RN: 135820-81-4
CAS Name: (2S)-2-[[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-2-[[(1R)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: benzyl (2S)-2-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[[(2R)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: C[C@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 135818-22-3
CAS Name: 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenyl-1-piperazinyl)propyl ester hydrochloride
OPENEYE Name: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride
IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride
SYSTEMATIC NAME: 3-(4-phenylpiperazin-1-yl)propyl 2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride
MOLECULAR FORMULA: C24H31ClN2O4S
MOLECULAR WEIGHT: 479.03194
SMILES: CC1C(C(SC2=CC=CC=C2O1)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O.Cl
Structure:
CAS RN: 135809-60-8
CAS Name: [1-(2,2-dimethyl-6-nitro-1-benzopyran-4-yl)-2-pyridinylidene]cyanamide
OPENEYE Name: [1-(2,2-dimethyl-6-nitro-chromen-4-yl)-2-pyridylidene]cyanamide
IUPAC Name: [1-(2,2-dimethyl-6-nitrochromen-4-yl)pyridin-2-ylidene]cyanamide
SYSTEMATIC NAME: [1-(2,2-dimethyl-6-nitro-chromen-4-yl)pyridin-2-ylidene]cyanamide
MOLECULAR FORMULA: C17H14N4O3
MOLECULAR WEIGHT: 322.31806
SMILES: CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=NC#N)C
Structure:
CAS RN: 135757-66-3
CAS Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b
OPENEYE Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,
SYSTEMATIC NAME: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11
MOLECULAR FORMULA: C42H68O13
MOLECULAR WEIGHT: 780.98152
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C(=O)O
Structure:
CAS RN: 135742-56-2
CAS Name: N-(2-pyrazinyl)hexadecanamide
OPENEYE Name: N-pyrazin-2-ylhexadecanamide
IUPAC Name: N-pyrazin-2-ylhexadecanamide
SYSTEMATIC NAME: N-pyrazin-2-ylhexadecanamide
MOLECULAR FORMULA: C20H35N3O
MOLECULAR WEIGHT: 333.5114
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=NC=CN=C1
Structure:
CAS RN: 135730-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H42O14
MOLECULAR WEIGHT: 686.69958
SMILES: CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@]3([C@@]4(CC(=O)[C@@H]([C@@H]2OC(=O)C)[C@@]3(CO4)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)O
Structure:
CAS RN: 135722-27-9
CAS Name: N-[2-[4-(7-methoxy-1-naphthalenyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide
OPENEYE Name: N-[2-[4-(7-methoxy-1-naphthyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
IUPAC Name: N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=CS4)C=C1
Structure:
CAS RN: 135721-98-1
CAS Name: 4-fluoro-N-[2-[4-(7-methoxy-1-naphthalenyl)-1-piperazinyl]ethyl]benzamide hydrochloride
OPENEYE Name: 4-fluoro-N-[2-[4-(7-methoxy-1-naphthyl)piperazin-1-yl]ethyl]benzamide hydrochloride
IUPAC Name: 4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide hydrochloride
SYSTEMATIC NAME: 4-fluoranyl-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide hydrochloride
MOLECULAR FORMULA: C24H27ClFN3O2
MOLECULAR WEIGHT: 443.941483
SMILES: COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1.Cl
Structure:
CAS RN: 135690-31-2
CAS Name: (3S,5S)-7-[(1S,2R,3R,4S,6R,8S,8aR)-3,4,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: (3S,5S)-7-[(1S,2R,3R,4S,6R,8S,8aR)-3,4,6-trihydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: (3S,5S)-7-[(1S,2R,3R,4S,6R,8S,8aR)-3,4,6-trihydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: (3S,5S)-7-[(1S,2R,3R,4S,6R,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-3,4,6-tris(oxidanyl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C23H38O9
MOLECULAR WEIGHT: 458.54242
SMILES: CCC(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H]([C@H]([C@H]2O)O)C)CC[C@@H](C[C@@H](CC(=O)O)O)O)O
Structure:
CAS RN: 135676-14-1
CAS Name: 5-cyclohexyl-6-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-cyclohexyl-6-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 5-cyclohexyl-6-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-cyclohexyl-6-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CC1=C(C(=O)NC(=O)N1)C2CCCCC2
Structure:
CAS RN: 135644-85-8
CAS Name: acetic acid [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methyl-1-piperidin-1-iumyl)-2-(4-morpholinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-morpholin-4-yl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C31H53N2O4+
MOLECULAR WEIGHT: 517.76352
SMILES: CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCCC6)C
Structure:
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