CAS RN: 5435-85-8
CAS Name: N,N-dibutyl-2-chlorobenzenecarboximidamide
OPENEYE Name: N,N-dibutyl-2-chloro-benzamidine
IUPAC Name: N,N-dibutyl-2-chlorobenzenecarboximidamide
SYSTEMATIC NAME: N,N-dibutyl-2-chloranyl-benzenecarboximidamide
MOLECULAR FORMULA: C15H23ClN2
MOLECULAR WEIGHT: 266.80952
SMILES: CCCCN(CCCC)C(=N)C1=CC=CC=C1Cl
Structure:
CAS RN: 7146-38-5
CAS Name: 1-phenyl-4-[1,2,2-tris(4-phenylphenyl)ethenyl]benzene
OPENEYE Name: 1-phenyl-4-[1,2,2-tris(4-phenylphenyl)vinyl]benzene
IUPAC Name: 1-phenyl-4-[1,2,2-tris(4-phenylphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-phenyl-4-[1,2,2-tris(4-phenylphenyl)ethenyl]benzene
MOLECULAR FORMULA: C50H36
MOLECULAR WEIGHT: 636.82084
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8
Structure:
CAS RN: 5435-98-3
CAS Name: 1-[2,2-diphenyl-1-(4-phenylphenyl)ethenyl]-4-phenylbenzene
OPENEYE Name: 1-[2,2-diphenyl-1-(4-phenylphenyl)vinyl]-4-phenyl-benzene
IUPAC Name: 1-[2,2-diphenyl-1-(4-phenylphenyl)ethenyl]-4-phenylbenzene
SYSTEMATIC NAME: 1-[2,2-diphenyl-1-(4-phenylphenyl)ethenyl]-4-phenyl-benzene
MOLECULAR FORMULA: C38H28
MOLECULAR WEIGHT: 484.62892
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
Structure:
CAS RN: 5457-15-8
CAS Name: 1-bromo-7-(dimethylamino)-3,3-diphenyl-2-heptanone
OPENEYE Name: 1-bromo-7-(dimethylamino)-3,3-diphenyl-heptan-2-one
IUPAC Name: 1-bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one
SYSTEMATIC NAME: 1-bromanyl-7-(dimethylamino)-3,3-diphenyl-heptan-2-one
MOLECULAR FORMULA: C21H26BrNO
MOLECULAR WEIGHT: 388.34124
SMILES: CN(C)CCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CBr
Structure:
CAS RN: 5436-08-8
CAS Name: 2-bromo-7-(dimethylamino)-4,4-diphenyl-3-heptanone
OPENEYE Name: 2-bromo-7-(dimethylamino)-4,4-diphenyl-heptan-3-one
IUPAC Name: 2-bromo-7-(dimethylamino)-4,4-diphenylheptan-3-one
SYSTEMATIC NAME: 2-bromanyl-7-(dimethylamino)-4,4-diphenyl-heptan-3-one
MOLECULAR FORMULA: C21H26BrNO
MOLECULAR WEIGHT: 388.34124
SMILES: CC(C(=O)C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)Br
Structure:
CAS RN: 5436-07-7
CAS Name: 8-ethyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
OPENEYE Name: 8-ethyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
IUPAC Name: 8-ethyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
SYSTEMATIC NAME: 8-ethyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCN1CCC2(CC1)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 7146-40-9
CAS Name: 6-(dimethylamino)-3,3-diphenyl-2-hexanone
OPENEYE Name: 6-(dimethylamino)-3,3-diphenyl-hexan-2-one
IUPAC Name: 6-(dimethylamino)-3,3-diphenylhexan-2-one
SYSTEMATIC NAME: 6-(dimethylamino)-3,3-diphenyl-hexan-2-one
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: CC(=O)C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 5457-14-7
CAS Name: 8-methyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
OPENEYE Name: 8-methyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
IUPAC Name: 8-methyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
SYSTEMATIC NAME: 8-methyl-2,3-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CN1CCC2(CC1)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5463-31-0
CAS Name: 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-piperidine-4-carboxylate
IUPAC Name: ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 4-[3,4-bis(oxidanyl)phenyl]-1-methyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: CCOC(=O)C1(CCN(CC1)C)C2=CC(=C(C=C2)O)O
Structure:
CAS RN: 5441-27-0
CAS Name: 3-[2-(dimethylamino)ethyl]-3,5-diphenyl-2-pentanone
OPENEYE Name: 3-[2-(dimethylamino)ethyl]-3,5-diphenyl-pentan-2-one
IUPAC Name: 3-[2-(dimethylamino)ethyl]-3,5-diphenylpentan-2-one
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethyl]-3,5-diphenyl-pentan-2-one
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CC(=O)C(CCC1=CC=CC=C1)(CCN(C)C)C2=CC=CC=C2
Structure:
CAS RN: 6955-22-2
CAS Name: 2-[2-[diethylamino(oxo)methyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-(diethylcarbamoyl)phenyl]benzoic acid
IUPAC Name: 2-[2-(diethylcarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(diethylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CCN(CC)C(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 4265-99-0
CAS Name: N-methyl-4-phenyl-1-butanamine
OPENEYE Name: N-methyl-4-phenyl-butan-1-amine
IUPAC Name: N-methyl-4-phenylbutan-1-amine
SYSTEMATIC NAME: N-methyl-4-phenyl-butan-1-amine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CNCCCCC1=CC=CC=C1
Structure:
CAS RN: 19499-60-6
CAS Name: N-methyl-1-(4-nitrophenyl)methanamine
OPENEYE Name: N-methyl-1-(4-nitrophenyl)methanamine
IUPAC Name: N-methyl-1-(4-nitrophenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(4-nitrophenyl)methanamine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CNCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 19499-61-7
CAS Name: N-methyl-1-(3-nitrophenyl)methanamine
OPENEYE Name: N-methyl-1-(3-nitrophenyl)methanamine
IUPAC Name: N-methyl-1-(3-nitrophenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(3-nitrophenyl)methanamine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CNCC1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 90389-70-1
CAS Name: N-methyl-1-(3-nitrophenyl)methanamine
OPENEYE Name: N-methyl-1-(3-nitrophenyl)methanamine
IUPAC Name: N-methyl-1-(3-nitrophenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(3-nitrophenyl)methanamine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CNCC1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 56222-08-3
CAS Name: N-methyl-1-(2-nitrophenyl)methanamine
OPENEYE Name: N-methyl-1-(2-nitrophenyl)methanamine
IUPAC Name: N-methyl-1-(2-nitrophenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(2-nitrophenyl)methanamine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CNCC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 6315-87-3
CAS Name: 10,10-bis(4-methoxyphenyl)-9-anthracenone
OPENEYE Name: 10,10-bis(4-methoxyphenyl)anthracen-9-one
IUPAC Name: 10,10-bis(4-methoxyphenyl)anthracen-9-one
SYSTEMATIC NAME: 10,10-bis(4-methoxyphenyl)anthracen-9-one
MOLECULAR FORMULA: C28H22O3
MOLECULAR WEIGHT: 406.47248
SMILES: COC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)C5=CC=C(C=C5)OC
Structure:
CAS RN: 6941-82-8
CAS Name: 10-(4-methoxyphenyl)-10-phenyl-9-anthracenone
OPENEYE Name: 10-(4-methoxyphenyl)-10-phenyl-anthracen-9-one
IUPAC Name: 10-(4-methoxyphenyl)-10-phenylanthracen-9-one
SYSTEMATIC NAME: 10-(4-methoxyphenyl)-10-phenyl-anthracen-9-one
MOLECULAR FORMULA: C27H20O2
MOLECULAR WEIGHT: 376.4465
SMILES: COC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)C5=CC=CC=C5
Structure:
CAS RN: 6315-86-2
CAS Name: 3-hydroxy-10,10-bis(4-hydroxyphenyl)-9-anthracenone
OPENEYE Name: 3-hydroxy-10,10-bis(4-hydroxyphenyl)anthracen-9-one
IUPAC Name: 3-hydroxy-10,10-bis(4-hydroxyphenyl)anthracen-9-one
SYSTEMATIC NAME: 10,10-bis(4-hydroxyphenyl)-3-oxidanyl-anthracen-9-one
MOLECULAR FORMULA: C26H18O4
MOLECULAR WEIGHT: 394.41872
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)C=C(C=C3)O
Structure:
CAS RN: 5440-96-0
CAS Name: 2-[4-[[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]thio]phenyl]-1-(diaminomethylidene)guanidine
OPENEYE Name: 2-[4-[4-[[amino(guanidino)methylene]amino]phenyl]sulfanylphenyl]-1-(diaminomethylene)guanidine
IUPAC Name: 2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfanylphenyl]-1-(diaminomethylidene)guanidine
SYSTEMATIC NAME: 2-[4-[4-[[azanyl-[bis(azanyl)methylideneamino]methylidene]amino]phenyl]sulfanylphenyl]-1-[bis(azanyl)methylidene]guanidine
MOLECULAR FORMULA: C16H20N10S
MOLECULAR WEIGHT: 384.462
SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)SC2=CC=C(C=C2)N=C(N)N=C(N)N
Structure:
CAS RN: 6968-00-9
CAS Name: 2-[2-[[2-(diaminomethylideneamino)phenyl]disulfanyl]phenyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-[(2-guanidinophenyl)disulfanyl]phenyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-[[2-(diaminomethylideneamino)phenyl]disulfanyl]phenyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-[[2-[bis(azanyl)methylideneamino]phenyl]disulfanyl]phenyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C14H18N6O4S3
MOLECULAR WEIGHT: 430.52552
SMILES: C1=CC=C(C(=C1)N=C(N)N)SSC2=CC=CC=C2N=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 32666-56-1
CAS Name: 5,8-dihydronaphthalen-1-amine
OPENEYE Name: 5,8-dihydronaphthalen-1-amine
IUPAC Name: 5,8-dihydronaphthalen-1-amine
SYSTEMATIC NAME: 5,8-dihydronaphthalen-1-amine
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C1C=CCC2=C1C=CC=C2N
Structure:
CAS RN: 5441-10-1
CAS Name: 2-(4-aminophenyl)guanidine
OPENEYE Name: 2-(4-aminophenyl)guanidine
IUPAC Name: 2-(4-aminophenyl)guanidine
SYSTEMATIC NAME: 2-(4-aminophenyl)guanidine
MOLECULAR FORMULA: C7H10N4
MOLECULAR WEIGHT: 150.1811
SMILES: C1=CC(=CC=C1N)N=C(N)N
Structure:
CAS RN: 6975-80-0
CAS Name: [3-[[anilino(oxo)methyl]amino]-2-methoxypropyl]-bromomercury
OPENEYE Name: bromo-[2-methoxy-3-(phenylcarbamoylamino)propyl]mercury
IUPAC Name: bromo-[2-methoxy-3-(phenylcarbamoylamino)propyl]mercury
SYSTEMATIC NAME: bromanyl-[2-methoxy-3-(phenylcarbamoylamino)propyl]mercury
MOLECULAR FORMULA: C11H15BrHgN2O2
MOLECULAR WEIGHT: 487.743
SMILES: COC(CNC(=O)NC1=CC=CC=C1)C[Hg]Br
Structure:
CAS RN: 5450-81-7
CAS Name: (1,3-dimethyl-2,6-dioxo-7-purinyl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
OPENEYE Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
SYSTEMATIC NAME: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-[2-methoxy-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propyl]mercury
MOLECULAR FORMULA: C18H19HgN5O6S
MOLECULAR WEIGHT: 634.02836
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[Hg]CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)OC
Structure:
CAS RN: 5440-63-1
CAS Name: [3-(5,6-dimethyl-1,3-dioxo-2-isoindolyl)-2-methoxypropyl]mercury hydrate
OPENEYE Name: [3-(5,6-dimethyl-1,3-dioxo-isoindolin-2-yl)-2-methoxy-propyl]mercury hydrate
IUPAC Name: [3-(5,6-dimethyl-1,3-dioxoisoindol-2-yl)-2-methoxypropyl]mercury hydrate
SYSTEMATIC NAME: [3-[5,6-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-methoxy-propyl]mercury hydrate
MOLECULAR FORMULA: C14H18HgNO4
MOLECULAR WEIGHT: 464.88702
SMILES: CC1=C(C=C2C(=C1)C(=O)N(C2=O)CC(C[Hg])OC)C.O
Structure:
CAS RN: 86-07-7
CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [5-(3-formyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-formylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(3-methanoylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C21H27N6O14P2+
MOLECULAR WEIGHT: 649.418402
SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C=O
Structure:
CAS RN: 7769-79-1
CAS Name: 2-aminohexadecanoic acid
OPENEYE Name: 2-aminohexadecanoic acid
IUPAC Name: 2-aminohexadecanoic acid
SYSTEMATIC NAME: 2-azanylhexadecanoic acid
MOLECULAR FORMULA: C16H33NO2
MOLECULAR WEIGHT: 271.43872
SMILES: CCCCCCCCCCCCCCC(C(=O)O)N
Structure:
CAS RN: 107-28-8
CAS Name: ethylmercury hydrate
OPENEYE Name: ethylmercury hydrate
IUPAC Name: ethylmercury hydrate
SYSTEMATIC NAME: ethylmercury hydrate
MOLECULAR FORMULA: C2H7HgO
MOLECULAR WEIGHT: 247.66638
SMILES: CC[Hg].O
Structure:
CAS RN: 115-09-3
CAS Name: chloro(methyl)mercury
OPENEYE Name: chloro(methyl)mercury
IUPAC Name: chloro(methyl)mercury
SYSTEMATIC NAME: chloranyl(methyl)mercury
MOLECULAR FORMULA: CH3ClHg
MOLECULAR WEIGHT: 251.07752
SMILES: C[Hg]Cl
Structure:
CAS RN: 5443-61-8
CAS Name: 4-(2-phenyl-3-quinolinyl)morpholine
OPENEYE Name: 4-(2-phenyl-3-quinolyl)morpholine
IUPAC Name: 4-(2-phenylquinolin-3-yl)morpholine
SYSTEMATIC NAME: 4-(2-phenylquinolin-3-yl)morpholine
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: C1COCCN1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4
Structure:
CAS RN: 46985-99-3
CAS Name: 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C13H19N5O
MOLECULAR WEIGHT: 261.32286
SMILES: CCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
Structure:
CAS RN: 151648-34-9
CAS Name: 1-(4-ethylsulfonylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(4-ethylsulfonylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(4-ethylsulfonylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(4-ethylsulfonylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C13H19N5O2S
MOLECULAR WEIGHT: 309.38726
SMILES: CCS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
Structure:
CAS RN: 4958-78-5
CAS Name: 3-(diethylaminomethyl)benzoic acid methyl ester
OPENEYE Name: methyl 3-(diethylaminomethyl)benzoate
IUPAC Name: methyl 3-(diethylaminomethyl)benzoate
SYSTEMATIC NAME: methyl 3-(diethylaminomethyl)benzoate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCN(CC)CC1=CC=CC(=C1)C(=O)OC
Structure:
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