CAS RN: 883231-23-0
CAS Name: N-(5-bromo-2-pyrimidinyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(5-bromopyrimidin-2-yl)carbamate
IUPAC Name: tert-butyl N-(5-bromopyrimidin-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(5-bromanylpyrimidin-2-yl)carbamate
MOLECULAR FORMULA: C9H12BrN3O2
MOLECULAR WEIGHT: 274.11448
SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=N1)Br
Structure:
CAS RN: 25150-61-2
CAS Name: pyrrolidine chloride
OPENEYE Name: pyrrolidine chloride
IUPAC Name: pyrrolidine chloride
SYSTEMATIC NAME: pyrrolidine chloride
MOLECULAR FORMULA: C4H9ClN-
MOLECULAR WEIGHT: 106.57396
SMILES: C1CCNC1.[Cl-]
Structure:
CAS RN: 67376-94-7
CAS Name: N-methylcyclopropanamine hydrochloride
OPENEYE Name: N-methylcyclopropanamine hydrochloride
IUPAC Name: N-methylcyclopropanamine hydrochloride
SYSTEMATIC NAME: N-methylcyclopropanamine hydrochloride
MOLECULAR FORMULA: C4H10ClN
MOLECULAR WEIGHT: 107.5819
SMILES: CNC1CC1.Cl
Structure:
CAS RN: 136098-13-0
CAS Name: 2,7-diazaspiro[3.4]octane
OPENEYE Name: 2,7-diazaspiro[3.4]octane
IUPAC Name: 2,7-diazaspiro[3.4]octane
SYSTEMATIC NAME: 2,7-diazaspiro[3.4]octane
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: C1CNCC12CNC2
Structure:
CAS RN: 209225-00-3
CAS Name: 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
OPENEYE Name: 4-nitroindane-2-carboxylic acid
IUPAC Name: 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
SYSTEMATIC NAME: 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C1C(CC2=C1C=CC=C2[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 22777-05-5
CAS Name: 5-methyl-1,4-diazepane
OPENEYE Name: 5-methyl-1,4-diazepane
IUPAC Name: 5-methyl-1,4-diazepane
SYSTEMATIC NAME: 5-methyl-1,4-diazepane
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: CC1CCNCCN1
Structure:
CAS RN: 65974-17-6
CAS Name: 5-methyl-1,4-diazepane
OPENEYE Name: 5-methyl-1,4-diazepane
IUPAC Name: 5-methyl-1,4-diazepane
SYSTEMATIC NAME: 5-methyl-1,4-diazepane
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: CC1CCNCCN1
Structure:
CAS RN: 886362-49-8
CAS Name: 4-(4-piperidinyl)benzamide
OPENEYE Name: 4-(4-piperidyl)benzamide
IUPAC Name: 4-piperidin-4-ylbenzamide
SYSTEMATIC NAME: 4-piperidin-4-ylbenzamide
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: C1CNCCC1C2=CC=C(C=C2)C(=O)N
Structure:
CAS RN: 91347-99-8
CAS Name: 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
OPENEYE Name: 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
IUPAC Name: 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
SYSTEMATIC NAME: 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
MOLECULAR FORMULA: C11H12BrN
MOLECULAR WEIGHT: 238.12368
SMILES: C1CNCC=C1C2=CC=C(C=C2)Br
Structure:
CAS RN: 41926-06-1
CAS Name: 1-methyl-7-indazolamine
OPENEYE Name: 1-methylindazol-7-amine
IUPAC Name: 1-methylindazol-7-amine
SYSTEMATIC NAME: 1-methylindazol-7-amine
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: CN1C2=C(C=CC=C2N)C=N1
Structure:
CAS RN: 210992-85-1
CAS Name: 4-chloro-6-phenylmethoxy-2-pyrimidinamine
OPENEYE Name: 4-benzyloxy-6-chloro-pyrimidin-2-amine
IUPAC Name: 4-chloro-6-phenylmethoxypyrimidin-2-amine
SYSTEMATIC NAME: 4-chloranyl-6-phenylmethoxy-pyrimidin-2-amine
MOLECULAR FORMULA: C11H10ClN3O
MOLECULAR WEIGHT: 235.6696
SMILES: C1=CC=C(C=C1)COC2=CC(=NC(=N2)N)Cl
Structure:
CAS RN: 286947-16-8
CAS Name: 4,9-diazabicyclo[4.2.1]nonane-4-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4,9-diazabicyclo[4.2.1]nonane-4-carboxylate
IUPAC Name: tert-butyl 4,9-diazabicyclo[4.2.1]nonane-4-carboxylate
SYSTEMATIC NAME: tert-butyl 4,9-diazabicyclo[4.2.1]nonane-4-carboxylate
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(C)(C)OC(=O)N1CCC2CCC(C1)N2
Structure:
CAS RN: 7068-70-4
CAS Name: aluminum propanoate
OPENEYE Name: aluminum propanoate
IUPAC Name: aluminum propanoate
SYSTEMATIC NAME: aluminum propanoate
MOLECULAR FORMULA: C9H15AlO6
MOLECULAR WEIGHT: 246.193338
SMILES: CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Al+3]
Structure:
CAS RN: 149990-48-7
CAS Name: ethyl-tris(4-methylphenyl)phosphonium acetate
OPENEYE Name: ethyl(tris-p-tolyl)phosphonium acetate
IUPAC Name: ethyl-tris(4-methylphenyl)phosphanium acetate
SYSTEMATIC NAME: ethyl-tris(4-methylphenyl)phosphanium ethanoate
MOLECULAR FORMULA: C25H29O2P
MOLECULAR WEIGHT: 392.470321
SMILES: CC[P+](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC(=O)[O-]
Structure:
CAS RN: 195447-25-7
CAS Name: 3,3-difluoro-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3,3-bis(fluoranyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H15F2NO2
MOLECULAR WEIGHT: 207.217706
SMILES: CC(C)(C)OC(=O)N1CCC(C1)(F)F
Structure:
CAS RN: 5324-84-5
CAS Name: sodium 1-octanesulfonic acid
OPENEYE Name: sodium octane-1-sulfonic acid
IUPAC Name: sodium octane-1-sulfonic acid
SYSTEMATIC NAME: sodium octane-1-sulfonic acid
MOLECULAR FORMULA: C8H18NaO3S+
MOLECULAR WEIGHT: 217.28149
SMILES: CCCCCCCCS(=O)(=O)O.[Na+]
Structure:
CAS RN: 61788-44-1
CAS Name: 2,4-bis(ethenyl)phenol
OPENEYE Name: 2,4-divinylphenol
IUPAC Name: 2,4-bis(ethenyl)phenol
SYSTEMATIC NAME: 2,4-bis(ethenyl)phenol
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C=CC1=CC(=C(C=C1)O)C=C
Structure:
CAS RN: 943-45-3
CAS Name: 2-methyl-2-phenoxypropanoate
OPENEYE Name: 2-methyl-2-phenoxy-propanoate
IUPAC Name: 2-methyl-2-phenoxypropanoate
SYSTEMATIC NAME: 2-methyl-2-phenoxy-propanoate
MOLECULAR FORMULA: C10H11O3-
MOLECULAR WEIGHT: 179.19254
SMILES: CC(C)(C(=O)[O-])OC1=CC=CC=C1
Structure:
CAS RN: 188527-21-1
CAS Name: 1-phenylmethoxycarbonyl-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-benzyloxycarbonylpyrrolidine-3-carboxylic acid
IUPAC Name: 1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: C1CN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 129756-32-7
CAS Name: zinc 2-hydroxyethanesulfonate
OPENEYE Name: zinc 2-hydroxyethanesulfonate
IUPAC Name: zinc 2-hydroxyethanesulfonate
SYSTEMATIC NAME: zinc 2-oxidanylethanesulfonate
MOLECULAR FORMULA: C4H10O8S2Zn
MOLECULAR WEIGHT: 315.6564
SMILES: C(CS(=O)(=O)[O-])O.C(CS(=O)(=O)[O-])O.[Zn+2]
Structure:
CAS RN: 6586-05-6
CAS Name: dichlorozinc; ethyl-[7-(ethylamino)-2,8-dimethyl-3-phenothiazinylidene]ammonium; dichloride
OPENEYE Name: dichlorozinc; ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]ammonium; dichloride
IUPAC Name: dichlorozinc; ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium; dichloride
SYSTEMATIC NAME: bis(chloranyl)zinc; ethyl-[7-(ethylamino)-2,8-dimethyl-phenothiazin-3-ylidene]azanium; dichloride
MOLECULAR FORMULA: C36H44Cl4N6S2Zn
MOLECULAR WEIGHT: 832.12576
SMILES: CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-].[Cl-].Cl[Zn]Cl
Structure:
CAS RN: 97216-16-5
CAS Name: N-(2-naphthalenyl)-2-pyrrolidinecarboxamide hydrochloride
OPENEYE Name: N-(2-naphthyl)pyrrolidine-2-carboxamide hydrochloride
IUPAC Name: N-naphthalen-2-ylpyrrolidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-naphthalen-2-ylpyrrolidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C15H17ClN2O
MOLECULAR WEIGHT: 276.76128
SMILES: C1CC(NC1)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
Structure:
CAS RN: 6409-77-4
CAS Name: 4-amino-1,3-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid; sodium
OPENEYE Name: 4-amino-1,3-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid; sodium
IUPAC Name: 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 4-azanyl-1,3-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C14H9NNaO7S
MOLECULAR WEIGHT: 358.27853
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)O)O.[Na]
Structure:
CAS RN: 26787-78-0
CAS Name: (2S,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,6R)-6-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H19N3O5S
MOLECULAR WEIGHT: 365.40416
SMILES: CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C
Structure:
CAS RN: 18305-11-8
CAS Name: 1-(2-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(2-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(2-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(2-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C11H15Cl2N5
MOLECULAR WEIGHT: 288.1763
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2Cl)N)N)C.Cl
Structure:
CAS RN: 7478-20-8
CAS Name: 2-(8-hydroxy-1-quinolin-1-iumyl)-1-phenylethanone bromide
OPENEYE Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-phenyl-ethanone bromide
IUPAC Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-phenylethanone bromide
SYSTEMATIC NAME: 2-(8-oxidanylquinolin-1-ium-1-yl)-1-phenyl-ethanone bromide
MOLECULAR FORMULA: C17H14BrNO2
MOLECULAR WEIGHT: 344.20256
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C(=CC=C3)O.[Br-]
Structure:
CAS RN: 148-72-1
CAS Name: 3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone; nitric acid
OPENEYE Name: 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one; nitric acid
IUPAC Name: 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; nitric acid
SYSTEMATIC NAME: 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; nitric acid
MOLECULAR FORMULA: C11H17N3O5
MOLECULAR WEIGHT: 271.26978
SMILES: CCC1C(COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-]
Structure:
CAS RN: 16388-10-6
CAS Name: [(E)-2,3-dihydroinden-1-ylideneamino]-trimethylammonium iodide
OPENEYE Name: [(E)-indan-1-ylideneamino]-trimethyl-ammonium iodide
IUPAC Name: [(E)-2,3-dihydroinden-1-ylideneamino]-trimethylazanium iodide
SYSTEMATIC NAME: [(E)-2,3-dihydroinden-1-ylideneamino]-trimethyl-azanium iodide
MOLECULAR FORMULA: C12H17IN2
MOLECULAR WEIGHT: 316.18125
SMILES: C[N+](C)(C)/N=C/1\CCC2=CC=CC=C21.[I-]
Structure:
CAS RN: 301335-39-7
CAS Name: 3-phenoxyazetidine hydrochloride
OPENEYE Name: 3-phenoxyazetidine hydrochloride
IUPAC Name: 3-phenoxyazetidine hydrochloride
SYSTEMATIC NAME: 3-phenoxyazetidine hydrochloride
MOLECULAR FORMULA: C9H12ClNO
MOLECULAR WEIGHT: 185.65068
SMILES: C1C(CN1)OC2=CC=CC=C2.Cl
Structure:
CAS RN: 175277-39-1
CAS Name: 1-pyrrolidinecarboximidamide hydrobromide
OPENEYE Name: pyrrolidine-1-carboxamidine hydrobromide
IUPAC Name: pyrrolidine-1-carboximidamide hydrobromide
SYSTEMATIC NAME: pyrrolidine-1-carboximidamide hydrobromide
MOLECULAR FORMULA: C5H12BrN3
MOLECULAR WEIGHT: 194.07288
SMILES: C1CCN(C1)C(=N)N.Br
Structure:
CAS RN: 916766-82-0
CAS Name: 4-(1-methyl-3-pyrazolyl)aniline
OPENEYE Name: 4-(1-methylpyrazol-3-yl)aniline
IUPAC Name: 4-(1-methylpyrazol-3-yl)aniline
SYSTEMATIC NAME: 4-(1-methylpyrazol-3-yl)aniline
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)N
Structure:
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