CAS RN: 89850-79-3
CAS Name: 2-[amino(propan-2-yl)amino]butanoic acid
OPENEYE Name: 2-[amino(isopropyl)amino]butanoic acid
IUPAC Name: 2-[amino(propan-2-yl)amino]butanoic acid
SYSTEMATIC NAME: 2-[azanyl(propan-2-yl)amino]butanoic acid
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CCC(C(=O)O)N(C(C)C)N
Structure:
CAS RN: 89937-49-5
CAS Name: 2-[amino(propan-2-yl)amino]propanoic acid
OPENEYE Name: 2-[amino(isopropyl)amino]propanoic acid
IUPAC Name: 2-[amino(propan-2-yl)amino]propanoic acid
SYSTEMATIC NAME: 2-[azanyl(propan-2-yl)amino]propanoic acid
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: CC(C)N(C(C)C(=O)O)N
Structure:
CAS RN: 92653-95-7
CAS Name: N-[2-oxo-2-[[oxo(2-pyrrolidinyl)methyl]hydrazo]ethyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-oxo-2-[2-(pyrrolidine-2-carbonyl)hydrazino]ethyl]carbamate
IUPAC Name: benzyl N-[2-oxo-2-[2-(pyrrolidine-2-carbonyl)hydrazinyl]ethyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-oxidanylidene-2-(2-pyrrolidin-2-ylcarbonylhydrazinyl)ethyl]carbamate
MOLECULAR FORMULA: C15H20N4O4
MOLECULAR WEIGHT: 320.3437
SMILES: C1CC(NC1)C(=O)NNC(=O)CNC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 21959-36-4
CAS Name: 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate
IUPAC Name: ethyl 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate
SYSTEMATIC NAME: ethyl 2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate
MOLECULAR FORMULA: C13H15I2NO4
MOLECULAR WEIGHT: 503.07144
SMILES: CCOC(=O)C(CC1=CC(=C(C(=C1)I)O)I)NC(=O)C
Structure:
CAS RN: 7051-27-6
CAS Name: 1-phenyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
OPENEYE Name: 1-phenyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
IUPAC Name: 1-phenyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
SYSTEMATIC NAME: 1-phenyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
MOLECULAR FORMULA: C16H13F3N2O
MOLECULAR WEIGHT: 306.28243
SMILES: CC(C1=CC=CC=C1)(C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)O
Structure:
CAS RN: 182-53-6
CAS Name: spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
OPENEYE Name: spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
IUPAC Name: spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
SYSTEMATIC NAME: spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
MOLECULAR FORMULA: C12H15NS
MOLECULAR WEIGHT: 205.3192
SMILES: C1CCC2(CC1)NC3=CC=CC=C3S2
Structure:
CAS RN: 7727-82-4
CAS Name: 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester
OPENEYE Name: methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC Name: methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
SYSTEMATIC NAME: methyl 4-[10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
Structure:
CAS RN: 90992-31-7
CAS Name: 1-[2-(dimethylamino)ethyl]-1-methylguanidine; sulfuric acid
OPENEYE Name: 1-[2-(dimethylamino)ethyl]-1-methyl-guanidine; sulfuric acid
IUPAC Name: 1-[2-(dimethylamino)ethyl]-1-methylguanidine; sulfuric acid
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-1-methyl-guanidine; sulfuric acid
MOLECULAR FORMULA: C6H18N4O4S
MOLECULAR WEIGHT: 242.29652
SMILES: CN(C)CCN(C)C(=N)N.OS(=O)(=O)O
Structure:
CAS RN: 83725-77-3
CAS Name: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(2-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C8H5ClN2O2
MOLECULAR WEIGHT: 196.5905
SMILES: C1=CC=C(C(=C1)C2=NNC(=O)O2)Cl
Structure:
CAS RN: 1199-02-6
CAS Name: 5-phenyl-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-phenyl-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-phenyl-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-phenyl-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: C1=CC=C(C=C1)C2=NNC(=O)O2
Structure:
CAS RN: 24360-08-5
CAS Name: 4-phenyl-1-piperazinecarboximidamide; sulfuric acid
OPENEYE Name: 4-phenylpiperazine-1-carboxamidine; sulfuric acid
IUPAC Name: 4-phenylpiperazine-1-carboximidamide; sulfuric acid
SYSTEMATIC NAME: 4-phenylpiperazine-1-carboximidamide; sulfuric acid
MOLECULAR FORMULA: C11H18N4O4S
MOLECULAR WEIGHT: 302.35002
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=N)N.OS(=O)(=O)O
Structure:
CAS RN: 89642-00-2
CAS Name: thiocyanic acid [2-(5-nitro-2-furanyl)-2-oxoethyl] ester
OPENEYE Name: [2-(5-nitro-2-furyl)-2-oxo-ethyl] thiocyanate
IUPAC Name: [2-(5-nitrofuran-2-yl)-2-oxoethyl] thiocyanate
SYSTEMATIC NAME: [2-(5-nitrofuran-2-yl)-2-oxidanylidene-ethyl] thiocyanate
MOLECULAR FORMULA: C7H4N2O4S
MOLECULAR WEIGHT: 212.18266
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)CSC#N
Structure:
CAS RN: 7150-89-2
CAS Name: [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid
OPENEYE Name: [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid
IUPAC Name: [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid
SYSTEMATIC NAME: [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid
MOLECULAR FORMULA: C8H9AsN2O9
MOLECULAR WEIGHT: 352.08666
SMILES: C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-]
Structure:
CAS RN: 90889-39-7
CAS Name: 4,7-dichloro-2-methylthiazolo[4,5-d]pyridazine
OPENEYE Name: 4,7-dichloro-2-methyl-thiazolo[4,5-d]pyridazine
IUPAC Name: 4,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyridazine
SYSTEMATIC NAME: 4,7-bis(chloranyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazine
MOLECULAR FORMULA: C6H3Cl2N3S
MOLECULAR WEIGHT: 220.07912
SMILES: CC1=NC2=C(S1)C(=NN=C2Cl)Cl
Structure:
CAS RN: 91091-92-8
CAS Name: N'-acetyl-N'-[4-(5-nitro-2-furanyl)-2-thiazolyl]acetohydrazide
OPENEYE Name: N'-acetyl-N'-[4-(5-nitro-2-furyl)thiazol-2-yl]acetohydrazide
IUPAC Name: N'-acetyl-N'-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetohydrazide
SYSTEMATIC NAME: N'-ethanoyl-N'-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]ethanehydrazide
MOLECULAR FORMULA: C11H10N4O5S
MOLECULAR WEIGHT: 310.2859
SMILES: CC(=O)NN(C1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 33032-83-6
CAS Name: 1-piperidinecarbodithioic acid 2-cyanoethyl ester
OPENEYE Name: 2-cyanoethyl piperidine-1-carbodithioate
IUPAC Name: 2-cyanoethyl piperidine-1-carbodithioate
SYSTEMATIC NAME: 2-cyanoethyl piperidine-1-carbodithioate
MOLECULAR FORMULA: C9H14N2S2
MOLECULAR WEIGHT: 214.35086
SMILES: C1CCN(CC1)C(=S)SCCC#N
Structure:
CAS RN: 14040-75-6
CAS Name: N,N'-dibutyloxamide
OPENEYE Name: N,N'-dibutyloxamide
IUPAC Name: N,N'-dibutyloxamide
SYSTEMATIC NAME: N,N'-dibutylethanediamide
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CCCCNC(=O)C(=O)NCCCC
Structure:
CAS RN: 38076-63-0
CAS Name: 2-chloro-1-(10-phenothiazinyl)-1-propanone
OPENEYE Name: 2-chloro-1-phenothiazin-10-yl-propan-1-one
IUPAC Name: 2-chloro-1-phenothiazin-10-ylpropan-1-one
SYSTEMATIC NAME: 2-chloranyl-1-phenothiazin-10-yl-propan-1-one
MOLECULAR FORMULA: C15H12ClNOS
MOLECULAR WEIGHT: 289.77988
SMILES: CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)Cl
Structure:
CAS RN: 70424-94-1
CAS Name: 3,4,5-tris(phenylmethoxy)benzoic acid methyl ester
OPENEYE Name: methyl 3,4,5-tribenzyloxybenzoate
IUPAC Name: methyl 3,4,5-tris(phenylmethoxy)benzoate
SYSTEMATIC NAME: methyl 3,4,5-tris(phenylmethoxy)benzoate
MOLECULAR FORMULA: C29H26O5
MOLECULAR WEIGHT: 454.51374
SMILES: COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 14723-61-6
CAS Name: 2,4-dinitro-1-(phenylthio)naphthalene
OPENEYE Name: 2,4-dinitro-1-phenylsulfanyl-naphthalene
IUPAC Name: 2,4-dinitro-1-phenylsulfanylnaphthalene
SYSTEMATIC NAME: 2,4-dinitro-1-phenylsulfanyl-naphthalene
MOLECULAR FORMULA: C16H10N2O4S
MOLECULAR WEIGHT: 326.3266
SMILES: C1=CC=C(C=C1)SC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 25386-51-0
CAS Name: 3-(2-oxo-1-pyridinyl)propanenitrile
OPENEYE Name: 3-(2-oxo-1-pyridyl)propanenitrile
IUPAC Name: 3-(2-oxopyridin-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-oxidanylidenepyridin-1-yl)propanenitrile
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1=CC(=O)N(C=C1)CCC#N
Structure:
CAS RN: 52236-45-0
CAS Name: 3-[9-(2-cyanoethyl)-10-oxo-9-anthracenyl]propanenitrile
OPENEYE Name: 3-[9-(2-cyanoethyl)-10-oxo-9-anthryl]propanenitrile
IUPAC Name: 3-[9-(2-cyanoethyl)-10-oxoanthracen-9-yl]propanenitrile
SYSTEMATIC NAME: 3-[9-(2-cyanoethyl)-10-oxidanylidene-anthracen-9-yl]propanenitrile
MOLECULAR FORMULA: C20H16N2O
MOLECULAR WEIGHT: 300.35384
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CCC#N)CCC#N
Structure:
CAS RN: 13295-94-8
CAS Name: 4-(2-phenylethynyl)pyridine
OPENEYE Name: 4-(2-phenylethynyl)pyridine
IUPAC Name: 4-(2-phenylethynyl)pyridine
SYSTEMATIC NAME: 4-(2-phenylethynyl)pyridine
MOLECULAR FORMULA: C13H9N
MOLECULAR WEIGHT: 179.21726
SMILES: C1=CC=C(C=C1)C#CC2=CC=NC=C2
Structure:
CAS RN: 14587-26-9
CAS Name: octadecanimidamide
OPENEYE Name: octadecanamidine
IUPAC Name: octadecanimidamide
SYSTEMATIC NAME: octadecanimidamide
MOLECULAR FORMULA: C18H38N2
MOLECULAR WEIGHT: 282.50772
SMILES: CCCCCCCCCCCCCCCCCC(=N)N
Structure:
CAS RN: 3589-45-5
CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanenitrile
OPENEYE Name: 3-(1,3-dioxoisoindolin-2-yl)propanenitrile
IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propanenitrile
SYSTEMATIC NAME: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#N
Structure:
CAS RN: 14277-01-1
CAS Name: N'-(4-methylphenyl)ethanimidamide
OPENEYE Name: N'-(p-tolyl)acetamidine
IUPAC Name: N'-(4-methylphenyl)ethanimidamide
SYSTEMATIC NAME: N'-(4-methylphenyl)ethanimidamide
MOLECULAR FORMULA: C9H12N2
MOLECULAR WEIGHT: 148.20498
SMILES: CC1=CC=C(C=C1)N=C(C)N
Structure:
CAS RN: 22446-20-4
CAS Name: 2-(phenylthio)acetamide
OPENEYE Name: 2-phenylsulfanylacetamide
IUPAC Name: 2-phenylsulfanylacetamide
SYSTEMATIC NAME: 2-phenylsulfanylethanamide
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: C1=CC=C(C=C1)SCC(=O)N
Structure:
CAS RN: 41116-24-9
CAS Name: 2-[4-(dimethylamino)phenyl]-2-oxoacetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(dimethylamino)phenyl]-2-oxo-acetate
IUPAC Name: ethyl 2-[4-(dimethylamino)phenyl]-2-oxoacetate
SYSTEMATIC NAME: ethyl 2-[4-(dimethylamino)phenyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CCOC(=O)C(=O)C1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 55664-55-6
CAS Name: 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile
OPENEYE Name: 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxo-cyclohexyl]propanenitrile
IUPAC Name: 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile
SYSTEMATIC NAME: 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxidanylidene-cyclohexyl]propanenitrile
MOLECULAR FORMULA: C19H24N4O
MOLECULAR WEIGHT: 324.42006
SMILES: CC1CC(C(=O)C(C1)(CCC#N)CCC#N)(CCC#N)CCC#N
Structure:
CAS RN: 93870-02-1
CAS Name: N-[(2-methoxy-1-naphthalenyl)methylideneamino]-4-nitroaniline
OPENEYE Name: N-[(2-methoxy-1-naphthyl)methyleneamino]-4-nitro-aniline
IUPAC Name: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-nitroaniline
SYSTEMATIC NAME: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-nitro-aniline
MOLECULAR FORMULA: C18H15N3O3
MOLECULAR WEIGHT: 321.33
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 93654-59-2
CAS Name: N-[(2-methoxy-1-naphthalenyl)methylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[(2-methoxy-1-naphthyl)methyleneamino]-2,4-dinitro-aniline
IUPAC Name: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C18H14N4O5
MOLECULAR WEIGHT: 366.32756
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6147-43-9
CAS Name: N-(6-methylhept-5-en-2-ylideneamino)-2,4-dinitroaniline
OPENEYE Name: N-(1,5-dimethylhex-4-enylideneamino)-2,4-dinitro-aniline
IUPAC Name: N-(6-methylhept-5-en-2-ylideneamino)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(6-methylhept-5-en-2-ylideneamino)-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H18N4O4
MOLECULAR WEIGHT: 306.31712
SMILES: CC(=CCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C)C
Structure:
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