CAS RN: 7438-73-5
CAS Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
OPENEYE Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
IUPAC Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
SYSTEMATIC NAME: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
MOLECULAR FORMULA: C8H11N5O2
MOLECULAR WEIGHT: 209.20524
SMILES: C1=NC2=C(C(=N1)N)N=CN2C[C@H](CO)O
Structure:
CAS RN: 55904-02-4
CAS Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
OPENEYE Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
IUPAC Name: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
SYSTEMATIC NAME: (2R)-3-(6-aminopurin-9-yl)propane-1,2-diol
MOLECULAR FORMULA: C8H11N5O2
MOLECULAR WEIGHT: 209.20524
SMILES: C1=NC2=C(C(=N1)N)N=CN2C[C@H](CO)O
Structure:
CAS RN: 89820-25-7
CAS Name: 4-methylbenzenesulfonic acid [(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl] ester
OPENEYE Name: [(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-methylbenzenesulfonate
IUPAC Name: [(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H38O8S
MOLECULAR WEIGHT: 522.65082
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]3[C@]([C@H](CCC3(C)C)O)([C@@]4([C@@]2(O[C@@](CC4=O)(C)C=C)C)O)C)O
Structure:
CAS RN: 89820-18-8
CAS Name: hexadecanoic acid [3-[hydroxy-[2-[[2-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)amino]-2-oxoethyl]amino]ethoxy]phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[[2-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)amino]-2-oxo-ethyl]amino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate
IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[[2-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [2-hexadecanoyloxy-3-[2-[[2-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)amino]-2-oxidanylidene-ethyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C48H93N3O10P
MOLECULAR WEIGHT: 903.239881
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCC(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 83920-54-1
CAS Name: (2S)-2,6-diaminohexanoic acid; 1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; 1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 1,3-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H22N6O4
MOLECULAR WEIGHT: 326.35158
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 83903-33-7
CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]hexanamide
MOLECULAR FORMULA: C32H45N9O4
MOLECULAR WEIGHT: 619.7576
SMILES: CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
Structure:
CAS RN: 89590-96-5
CAS Name: N1-(2,6-dimethylphenyl)-N2,N2-dimethylpropane-1,2-diamine
OPENEYE Name: N1-(2,6-dimethylphenyl)-N2,N2-dimethyl-propane-1,2-diamine
IUPAC Name: 1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
SYSTEMATIC NAME: N1-(2,6-dimethylphenyl)-N2,N2-dimethyl-propane-1,2-diamine
MOLECULAR FORMULA: C13H22N2
MOLECULAR WEIGHT: 206.32718
SMILES: CC1=C(C(=CC=C1)C)NCC(C)N(C)C
Structure:
CAS RN: 89579-87-3
CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-imino-2-pyrazinone hydrochloride
OPENEYE Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-imino-pyrazin-2-one hydrochloride
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-iminopyrazin-2-one hydrochloride
SYSTEMATIC NAME: 4-azanyl-3-azanylidene-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazin-2-one hydrochloride
MOLECULAR FORMULA: C9H15ClN4O5
MOLECULAR WEIGHT: 294.6922
SMILES: C1=CN(C(=N)C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N.Cl
Structure:
CAS RN: 89-42-9
CAS Name: 1-(4-bromophenyl)sulfonylimidazolidine-2,4-dione
OPENEYE Name: 1-(4-bromophenyl)sulfonylimidazolidine-2,4-dione
IUPAC Name: 1-(4-bromophenyl)sulfonylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonylimidazolidine-2,4-dione
MOLECULAR FORMULA: C9H7BrN2O4S
MOLECULAR WEIGHT: 319.13188
SMILES: C1C(=O)NC(=O)N1S(=O)(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 83777-30-4
CAS Name: 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid
OPENEYE Name: 3-(N-ethyl-3,5-dimethoxy-anilino)-2-hydroxy-propane-1-sulfonic acid
IUPAC Name: 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid
SYSTEMATIC NAME: 3-[(3,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonic acid
MOLECULAR FORMULA: C13H21NO6S
MOLECULAR WEIGHT: 319.37394
SMILES: CCN(CC(CS(=O)(=O)O)O)C1=CC(=CC(=C1)OC)OC
Structure:
CAS RN: 83747-76-6
CAS Name: N-[2-(1H-indol-3-ylthio)ethyl]-1-phenyl-2-pyrrolidinimine
OPENEYE Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenyl-pyrrolidin-2-imine
IUPAC Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenylpyrrolidin-2-imine
SYSTEMATIC NAME: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-phenyl-pyrrolidin-2-imine
MOLECULAR FORMULA: C20H21N3S
MOLECULAR WEIGHT: 335.46584
SMILES: C1CC(=NCCSC2=CNC3=CC=CC=C32)N(C1)C4=CC=CC=C4
Structure:
CAS RN: 89324-12-9
CAS Name: (2R)-2-amino-4-(hexan-2-ylsulfonimidoyl)butanoic acid
OPENEYE Name: (2R)-2-amino-4-(1-methylpentylsulfonimidoyl)butanoic acid
IUPAC Name: (2R)-2-amino-4-(hexan-2-ylsulfonimidoyl)butanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-4-(hexan-2-ylsulfonimidoyl)butanoic acid
MOLECULAR FORMULA: C10H22N2O3S
MOLECULAR WEIGHT: 250.35828
SMILES: CCCCC(C)S(=N)(=O)CC[C@H](C(=O)O)N
Structure:
CAS RN: 89283-05-6
CAS Name: 2-[3-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
OPENEYE Name: 2-[3-[4-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
IUPAC Name: 2-[3-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SYSTEMATIC NAME: 2-[3-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
MOLECULAR FORMULA: C21H24N4O
MOLECULAR WEIGHT: 348.44146
SMILES: CC1=CC=CC=C1C2=CCN(CC2)CCCN3C(=O)N4C=CC=CC4=N3
Structure:
CAS RN: 89277-85-0
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H12N2O6S2
MOLECULAR WEIGHT: 296.32068
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)O)C(=O)O)C
Structure:
CAS RN: 89160-45-2
CAS Name: 1-[2-[2-(1-piperidinyl)ethylseleno]ethyl]piperidine
OPENEYE Name: 1-[2-[2-(1-piperidyl)ethylselanyl]ethyl]piperidine
IUPAC Name: 1-[2-(2-piperidin-1-ylethylselanyl)ethyl]piperidine
SYSTEMATIC NAME: 1-[2-(2-piperidin-1-ylethylselanyl)ethyl]piperidine
MOLECULAR FORMULA: C14H28N2Se
MOLECULAR WEIGHT: 303.34552
SMILES: C1CCN(CC1)CC[Se]CCN2CCCCC2
Structure:
CAS RN: 22330-18-3
CAS Name: N-[4-(3-ethyl-2,6-dioxo-3-piperidinyl)phenyl]formamide
OPENEYE Name: N-[4-(3-ethyl-2,6-dioxo-3-piperidyl)phenyl]formamide
IUPAC Name: N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]formamide
SYSTEMATIC NAME: N-[4-[3-ethyl-2,6-bis(oxidanylidene)piperidin-3-yl]phenyl]methanamide
MOLECULAR FORMULA: C14H16N2O3
MOLECULAR WEIGHT: 260.28844
SMILES: CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC=O
Structure:
CAS RN: 89043-18-5
CAS Name: 2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid
OPENEYE Name: 2-[4-(hydroxymethyl)-3-methoxy-phenoxy]acetic acid
IUPAC Name: 2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(hydroxymethyl)-3-methoxy-phenoxy]ethanoic acid
MOLECULAR FORMULA: C10H12O5
MOLECULAR WEIGHT: 212.19928
SMILES: COC1=C(C=CC(=C1)OCC(=O)O)CO
Structure:
CAS RN: 70001-21-7
CAS Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
OPENEYE Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
IUPAC Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 3-methoxy-2-methyl-6-[(11R)-11-oxidanyldodecyl]-1H-pyridin-4-one
MOLECULAR FORMULA: C19H33NO3
MOLECULAR WEIGHT: 323.47022
SMILES: CC1=C(C(=O)C=C(N1)CCCCCCCCCC[C@@H](C)O)OC
Structure:
CAS RN: 889-10-1
CAS Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
OPENEYE Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
IUPAC Name: 6-[(11R)-11-hydroxydodecyl]-3-methoxy-2-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 3-methoxy-2-methyl-6-[(11R)-11-oxidanyldodecyl]-1H-pyridin-4-one
MOLECULAR FORMULA: C19H33NO3
MOLECULAR WEIGHT: 323.47022
SMILES: CC1=C(C(=O)C=C(N1)CCCCCCCCCC[C@@H](C)O)OC
Structure:
CAS RN: 88905-78-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1[C@H]2C[C@H]([C@@H]1C3=CC(=C(C=C23)O)O)N
Structure:
CAS RN: 83471-50-5
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C38H57N9O9
MOLECULAR WEIGHT: 783.91408
SMILES: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 30411-81-5
CAS Name: 2-ethyl-6-methyl-1H-benzimidazole
OPENEYE Name: 2-ethyl-6-methyl-1H-benzimidazole
IUPAC Name: 2-ethyl-6-methyl-1H-benzimidazole
SYSTEMATIC NAME: 2-ethyl-6-methyl-1H-benzimidazole
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CCC1=NC2=C(N1)C=C(C=C2)C
Structure:
CAS RN: 30364-07-9
CAS Name: 2-(2,5-dichloro-4-methoxyphenoxy)acetic acid
OPENEYE Name: 2-(2,5-dichloro-4-methoxy-phenoxy)acetic acid
IUPAC Name: 2-(2,5-dichloro-4-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-[2,5-bis(chloranyl)-4-methoxy-phenoxy]ethanoic acid
MOLECULAR FORMULA: C9H8Cl2O4
MOLECULAR WEIGHT: 251.06342
SMILES: COC1=CC(=C(C=C1Cl)OCC(=O)O)Cl
Structure:
CAS RN: 30123-86-5
CAS Name: 2-anilino-N'-[2-(3-chlorophenoxy)propyl]ethanimidamide hydrate hydrochloride
OPENEYE Name: 2-anilino-N'-[2-(3-chlorophenoxy)propyl]acetamidine hydrate hydrochloride
IUPAC Name: 2-anilino-N'-[2-(3-chlorophenoxy)propyl]ethanimidamide hydrate hydrochloride
SYSTEMATIC NAME: N'-[2-(3-chloranylphenoxy)propyl]-2-phenylazanyl-ethanimidamide hydrate hydrochloride
MOLECULAR FORMULA: C17H23Cl2N3O2
MOLECULAR WEIGHT: 372.28942
SMILES: CC(CN=C(CNC1=CC=CC=C1)N)OC2=CC(=CC=C2)Cl.O.Cl
Structure:
CAS RN: 30076-84-7
CAS Name: 2-[[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(1S)-1-carbamoyl-3-carboxy-propyl]carbamoyl]benzoic acid
IUPAC Name: 2-[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[(2S)-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N)C(=O)O
Structure:
CAS RN: 29915-43-3
CAS Name: 2-(2,2-diphenylethoxy)acetic acid 3-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(diethylamino)propyl 2-(2,2-diphenylethoxy)acetate hydrochloride
IUPAC Name: 3-(diethylamino)propyl 2-(2,2-diphenylethoxy)acetate hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)propyl 2-(2,2-diphenylethoxy)ethanoate hydrochloride
MOLECULAR FORMULA: C23H32ClNO3
MOLECULAR WEIGHT: 405.95808
SMILES: CCN(CC)CCCOC(=O)COCC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 29883-18-9
CAS Name: 2-[[[(3S)-2,6-dioxo-3-piperidinyl]amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(3S)-2,6-dioxo-3-piperidyl]carbamoyl]benzoic acid
IUPAC Name: 2-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1CC(=O)NC(=O)[C@H]1NC(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 29774-74-1
CAS Name: (2R)-2,5,7-trimethyl-6-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-2,3-dihydroinden-1-one
OPENEYE Name: (2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]indan-1-one
IUPAC Name: (2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
SYSTEMATIC NAME: (2R)-6-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-2,5,7-trimethyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: C[C@@H]1CC2=CC(=C(C(=C2C1=O)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
Structure:
CAS RN: 29334-13-2
CAS Name: 4-methylbenzenesulfonic acid; 2,2,6,6-tetramethyl-4-piperidinone
OPENEYE Name: 4-methylbenzenesulfonic acid; 2,2,6,6-tetramethylpiperidin-4-one
IUPAC Name: 4-methylbenzenesulfonic acid; 2,2,6,6-tetramethylpiperidin-4-one
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 2,2,6,6-tetramethylpiperidin-4-one
MOLECULAR FORMULA: C16H25NO4S
MOLECULAR WEIGHT: 327.439
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CC(=O)CC(N1)(C)C)C
Structure:
CAS RN: 24365-61-5
CAS Name: 1-[2-[4-(2-phenyl-1-benzo[e]benzofuranyl)phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-(2-phenylbenzo[e]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C30H27NO2
MOLECULAR WEIGHT: 433.54088
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6
Structure:
CAS RN: 25433-85-6
CAS Name: 1-[2-[4-(2-phenyl-1-benzo[e]benzofuranyl)phenoxy]ethyl]pyrrolidine hydrochloride
OPENEYE Name: 1-[2-[4-(2-phenylbenzo[e]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
IUPAC Name: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C30H28ClNO2
MOLECULAR WEIGHT: 470.00182
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6.Cl
Structure:
CAS RN: 3000-81-5
CAS Name: 1-[2-[4-(2-phenyl-1-benzo[e]benzofuranyl)phenoxy]ethyl]pyrrolidine hydrochloride
OPENEYE Name: 1-[2-[4-(2-phenylbenzo[e]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
IUPAC Name: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C30H28ClNO2
MOLECULAR WEIGHT: 470.00182
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6.Cl
Structure:
CAS RN: 27653-51-6
CAS Name: 6-butyl-5-phenylpyrimidine-2,4-diamine
OPENEYE Name: 6-butyl-5-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 6-butyl-5-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-butyl-5-phenyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C14H18N4
MOLECULAR WEIGHT: 242.31952
SMILES: CCCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
Structure:
CAS RN: 27653-50-5
CAS Name: 5-phenyl-6-propylpyrimidine-2,4-diamine
OPENEYE Name: 5-phenyl-6-propyl-pyrimidine-2,4-diamine
IUPAC Name: 5-phenyl-6-propylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-phenyl-6-propyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C13H16N4
MOLECULAR WEIGHT: 228.29294
SMILES: CCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
Structure:
CAS RN: 27597-77-9
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-6-[4-[4-(dimethylamino)phenyl]azophenoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[4-(dimethylamino)phenyl]azophenoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C26H35N3O11
MOLECULAR WEIGHT: 565.5696
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
Structure:
CAS RN: 69489-26-5
CAS Name: 6-(benzenesulfinyl)-1H-benzimidazol-2-amine
OPENEYE Name: 6-(benzenesulfinyl)-1H-benzimidazol-2-amine
IUPAC Name: 6-(benzenesulfinyl)-1H-benzimidazol-2-amine
SYSTEMATIC NAME: 6-(phenylsulfinyl)-1H-benzimidazol-2-amine
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: C1=CC=C(C=C1)S(=O)C2=CC3=C(C=C2)N=C(N3)N
Structure:
CAS RN: 69095-77-8
CAS Name: 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
OPENEYE Name: 5-(o-tolyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
IUPAC Name: 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H12F3N3
MOLECULAR WEIGHT: 303.28179
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 69095-76-7
CAS Name: 3-(3-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 3-(3-chlorophenyl)-5-(o-tolyl)-1H-1,2,4-triazole
IUPAC Name: 3-(3-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3-(3-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C15H12ClN3
MOLECULAR WEIGHT: 269.72888
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 69095-75-6
CAS Name: 3-(2-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 3-(2-methoxyphenyl)-5-(o-tolyl)-1H-1,2,4-triazole
IUPAC Name: 3-(2-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC=C3OC
Structure:
CAS RN: 69095-74-5
CAS Name: 3-(2-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 3-(2-chlorophenyl)-5-(o-tolyl)-1H-1,2,4-triazole
IUPAC Name: 3-(2-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3-(2-chlorophenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C15H12ClN3
MOLECULAR WEIGHT: 269.72888
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC=C3Cl
Structure:
CAS RN: 69095-73-4
CAS Name: N,N-dimethyl-4-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]aniline
OPENEYE Name: N,N-dimethyl-4-[5-(o-tolyl)-1H-1,2,4-triazol-3-yl]aniline
IUPAC Name: N,N-dimethyl-4-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]aniline
MOLECULAR FORMULA: C17H18N4
MOLECULAR WEIGHT: 278.35162
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC=C(C=C3)N(C)C
Structure:
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