CAS RN: 25698-56-0
CAS Name: 5-chloro-2-[4-chloro-2-[(9H-fluoren-2-ylamino)-oxomethyl]phenyl]benzoic acid
OPENEYE Name: 5-chloro-2-[4-chloro-2-(9H-fluoren-2-ylcarbamoyl)phenyl]benzoic acid
IUPAC Name: 5-chloro-2-[4-chloro-2-(9H-fluoren-2-ylcarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-[4-chloranyl-2-(9H-fluoren-2-ylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C27H17Cl2NO3
MOLECULAR WEIGHT: 474.33478
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)C(=O)O
Structure:
CAS RN: 27007-54-1
CAS Name: 5-chloro-2-(4-chloro-2-methoxycarbonylphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 5-chloro-2-(4-chloro-2-methoxycarbonyl-phenyl)benzoate
IUPAC Name: methyl 5-chloro-2-(4-chloro-2-methoxycarbonylphenyl)benzoate
SYSTEMATIC NAME: methyl 5-chloranyl-2-(4-chloranyl-2-methoxycarbonyl-phenyl)benzoate
MOLECULAR FORMULA: C16H12Cl2O4
MOLECULAR WEIGHT: 339.17008
SMILES: COC(=O)C1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)C(=O)OC
Structure:
CAS RN: 25698-58-2
CAS Name: 2-[2-[(9H-fluoren-2-ylamino)-oxomethyl]-4-nitrophenyl]-5-nitrobenzoic acid
OPENEYE Name: 2-[2-(9H-fluoren-2-ylcarbamoyl)-4-nitro-phenyl]-5-nitro-benzoic acid
IUPAC Name: 2-[2-(9H-fluoren-2-ylcarbamoyl)-4-nitrophenyl]-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-[2-(9H-fluoren-2-ylcarbamoyl)-4-nitro-phenyl]-5-nitro-benzoic acid
MOLECULAR FORMULA: C27H17N3O7
MOLECULAR WEIGHT: 495.43978
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 27022-03-3
CAS Name: 2-[2-[oxo-(phenylhydrazo)methyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-(anilinocarbamoyl)phenyl]benzoic acid
IUPAC Name: 2-[2-(anilinocarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(phenylazanylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C20H16N2O3
MOLECULAR WEIGHT: 332.35264
SMILES: C1=CC=C(C=C1)NNC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 27022-04-4
CAS Name: 2-[2-[[(4-methyl-2-pyridinyl)amino]-oxomethyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-[(4-methyl-2-pyridyl)carbamoyl]phenyl]benzoic acid
IUPAC Name: 2-[2-[(4-methylpyridin-2-yl)carbamoyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[(4-methylpyridin-2-yl)carbamoyl]phenyl]benzoic acid
MOLECULAR FORMULA: C20H16N2O3
MOLECULAR WEIGHT: 332.35264
SMILES: CC1=CC(=NC=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 6809-72-9
CAS Name: 2-[2-[anilino(oxo)methyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-(phenylcarbamoyl)phenyl]benzoic acid
IUPAC Name: 2-[2-(phenylcarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(phenylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C20H15NO3
MOLECULAR WEIGHT: 317.338
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 824-80-6
CAS Name: 4-fluorobenzenesulfinic acid
OPENEYE Name: 4-fluorobenzenesulfinic acid
IUPAC Name: 4-fluorobenzenesulfinic acid
SYSTEMATIC NAME: 4-fluoranylbenzenesulfinic acid
MOLECULAR FORMULA: C6H5FO2S
MOLECULAR WEIGHT: 160.166103
SMILES: C1=CC(=CC=C1F)S(=O)O
Structure:
CAS RN: 29897-53-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H20N5+
MOLECULAR WEIGHT: 222.31
SMILES: C1N2CN3CN1C[N+](C2)(C3)CCCCC#N
Structure:
CAS RN: 26546-31-6
CAS Name: 4-[(4-hydroxyphenyl)methyl]-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclopentan-5-one
OPENEYE Name: 4-[(4-hydroxyphenyl)methyl]-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclopentan-5-one
IUPAC Name: 4-[(4-hydroxyphenyl)methyl]-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclopentan-5-one
SYSTEMATIC NAME: 4-[(4-hydroxyphenyl)methyl]-2,2-diphenyl-1-oxa-3-azonia-2-boranuidacyclopentan-5-one
MOLECULAR FORMULA: C21H20BNO3
MOLECULAR WEIGHT: 345.1994
SMILES: [B-]1([NH2+]C(C(=O)O1)CC2=CC=C(C=C2)O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 53942-89-5
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-methyl-methanamine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CNCC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 22242-87-1
CAS Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboximidamide
OPENEYE Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamidine
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
SYSTEMATIC NAME: 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
MOLECULAR FORMULA: C12H16N6O4
MOLECULAR WEIGHT: 308.29324
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=N)N
Structure:
CAS RN: 746-12-3
CAS Name: (2-methylphenyl)-triphenylsilane
OPENEYE Name: o-tolyl(triphenyl)silane
IUPAC Name: (2-methylphenyl)-triphenylsilane
SYSTEMATIC NAME: (2-methylphenyl)-triphenyl-silane
MOLECULAR FORMULA: C25H22Si
MOLECULAR WEIGHT: 350.52768
SMILES: CC1=CC=CC=C1[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 73771-28-5
CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-3-phenyl-2-propanol
OPENEYE Name: 1-[4-(o-tolyl)piperazin-1-yl]-3-phenyl-propan-2-ol
IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenyl-propan-2-ol
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(CC3=CC=CC=C3)O
Structure:
CAS RN: 50683-74-4
CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-methylmethanamine
OPENEYE Name: 1-isochroman-1-yl-N-methyl-methanamine
IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CNCC1C2=CC=CC=C2CCO1
Structure:
CAS RN: 53996-41-1
CAS Name: 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-1-benzopyran-4-yl)phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-chromen-4-yl)phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-chromen-4-yl)phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C30H33NO3
MOLECULAR WEIGHT: 455.58792
SMILES: CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
Structure:
CAS RN: 17740-42-0
CAS Name: 3,8-bis(phenylmethyl)-3,8-diazabicyclo[3.2.1]octane
OPENEYE Name: 3,8-dibenzyl-3,8-diazabicyclo[3.2.1]octane
IUPAC Name: 3,8-dibenzyl-3,8-diazabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3,8-bis(phenylmethyl)-3,8-diazabicyclo[3.2.1]octane
MOLECULAR FORMULA: C20H24N2
MOLECULAR WEIGHT: 292.41796
SMILES: C1CC2CN(CC1N2CC3=CC=CC=C3)CC4=CC=CC=C4
Structure:
CAS RN: 1042-91-7
CAS Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
OPENEYE Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenyl-methanone
IUPAC Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[3-(phenylcarbonyl)-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl]methanone
MOLECULAR FORMULA: C19H16N2O2
MOLECULAR WEIGHT: 304.34254
SMILES: C1C2C=CC1N(N2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 21135-07-9
CAS Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]heptan-2-yl)-phenylmethanone
OPENEYE Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]heptan-2-yl)-phenyl-methanone
IUPAC Name: (3-benzoyl-2,3-diazabicyclo[2.2.1]heptan-2-yl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[3-(phenylcarbonyl)-2,3-diazabicyclo[2.2.1]heptan-2-yl]methanone
MOLECULAR FORMULA: C19H18N2O2
MOLECULAR WEIGHT: 306.35842
SMILES: C1CC2CC1N(N2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 94409-18-4
CAS Name: 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
OPENEYE Name: 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
IUPAC Name: 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
SYSTEMATIC NAME: 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: CN1CCC2CCCCN2CC1=O
Structure:
CAS RN: 58263-64-2
CAS Name: [diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
OPENEYE Name: [diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
IUPAC Name: [diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
SYSTEMATIC NAME: [diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
MOLECULAR FORMULA: C23H26O4P2
MOLECULAR WEIGHT: 428.397662
SMILES: CCOP(=O)(C(C1=CC=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)OCC
Structure:
CAS RN: 25834-99-5
CAS Name: 4,4-dimethyl-1-cyclohexanamine
OPENEYE Name: 4,4-dimethylcyclohexanamine
IUPAC Name: 4,4-dimethylcyclohexan-1-amine
SYSTEMATIC NAME: 4,4-dimethylcyclohexan-1-amine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC1(CCC(CC1)N)C
Structure:
CAS RN: 27039-89-0
CAS Name: 2-[[2-[[2-[[3-[(diphenylmethyl)thio]-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-[[2-[[2-[[3-benzhydrylsulfanyl-2-[[2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetate
IUPAC Name: tert-butyl 2-[[2-[[2-[[3-benzhydrylsulfanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[2-[2-[[3-(diphenylmethyl)sulfanyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C60H67N5O8S2
MOLECULAR WEIGHT: 1050.33268
SMILES: CC(C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CSC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)OC(C)(C)C
Structure:
CAS RN: 7521-94-0
CAS Name: 2-[[3-[(diphenylmethyl)thio]-1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]propyl]amino]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-[[3-benzhydrylsulfanyl-2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetate
IUPAC Name: tert-butyl 2-[[3-benzhydrylsulfanyl-2-[[2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[3-(diphenylmethyl)sulfanyl-2-[2-[2-[2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]propanoyl]amino]ethanoate
MOLECULAR FORMULA: C58H62N6O9S2
MOLECULAR WEIGHT: 1051.27768
SMILES: CC(C)(C)OC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
Structure:
CAS RN: 32120-20-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H18N2O2
MOLECULAR WEIGHT: 354.40122
SMILES: C1=CC=C(C=C1)N2C(=O)C3C4C5C=CC=CN5C(C3C2=O)C6=CC=CC=C46
Structure:
CAS RN: 56008-62-9
CAS Name: (3,5-dimethoxyphenyl)methanamine
OPENEYE Name: (3,5-dimethoxyphenyl)methanamine
IUPAC Name: (3,5-dimethoxyphenyl)methanamine
SYSTEMATIC NAME: (3,5-dimethoxyphenyl)methanamine
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: COC1=CC(=CC(=C1)CN)OC
Structure:
CAS RN: 34967-24-3
CAS Name: (3,5-dimethoxyphenyl)methanamine
OPENEYE Name: (3,5-dimethoxyphenyl)methanamine
IUPAC Name: (3,5-dimethoxyphenyl)methanamine
SYSTEMATIC NAME: (3,5-dimethoxyphenyl)methanamine
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: COC1=CC(=CC(=C1)CN)OC
Structure:
CAS RN: 17150-46-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35CCC4C(=CO5)CCC(=O)OC)C)C
Structure:
CAS RN: 7492-88-8
CAS Name: 3-piperidinecarbonitrile
OPENEYE Name: piperidine-3-carbonitrile
IUPAC Name: piperidine-3-carbonitrile
SYSTEMATIC NAME: piperidine-3-carbonitrile
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: C1CC(CNC1)C#N
Structure:
CAS RN: 74417-30-4
CAS Name: 2,3-bis(phenylmethylthio)naphthalene-1,4-dione
OPENEYE Name: 2,3-bis(benzylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2,3-bis(benzylsulfanyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(phenylmethylsulfanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C24H18O2S2
MOLECULAR WEIGHT: 402.52852
SMILES: C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3C2=O)SCC4=CC=CC=C4
Structure:
CAS RN: 25683-53-8
CAS Name: 1-[(4-fluorophenyl)methyl]-3-quinolin-1-iumcarboxamide
OPENEYE Name: 1-[(4-fluorophenyl)methyl]quinolin-1-ium-3-carboxamide
IUPAC Name: 1-[(4-fluorophenyl)methyl]quinolin-1-ium-3-carboxamide
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]quinolin-1-ium-3-carboxamide
MOLECULAR FORMULA: C17H14FN2O+
MOLECULAR WEIGHT: 281.304263
SMILES: C1=CC=C2C(=C1)C=C(C=[N+]2CC3=CC=C(C=C3)F)C(=O)N
Structure:
CAS RN: 25515-17-7
CAS Name: N'-(6-ethoxy-2-phenylmethoxy-8-quinolinyl)propane-1,3-diamine
OPENEYE Name: N'-(2-benzyloxy-6-ethoxy-8-quinolyl)propane-1,3-diamine
IUPAC Name: N'-(6-ethoxy-2-phenylmethoxyquinolin-8-yl)propane-1,3-diamine
SYSTEMATIC NAME: N'-(6-ethoxy-2-phenylmethoxy-quinolin-8-yl)propane-1,3-diamine
MOLECULAR FORMULA: C21H25N3O2
MOLECULAR WEIGHT: 351.4421
SMILES: CCOC1=CC(=C2C(=C1)C=CC(=N2)OCC3=CC=CC=C3)NCCCN
Structure:
CAS RN: 23305-76-2
CAS Name: 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)-5-nitro-benzoate
IUPAC Name: methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate
SYSTEMATIC NAME: methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)-5-nitro-benzoate
MOLECULAR FORMULA: C16H12N2O8
MOLECULAR WEIGHT: 360.27508
SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 27126-86-9
CAS Name: 2-[2-[(1-adamantylamino)-oxomethyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid
IUPAC Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C24H25NO3
MOLECULAR WEIGHT: 375.4602
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O
Structure:
CAS RN: 25288-14-6
CAS Name: 3-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]benzonitrile
OPENEYE Name: 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
IUPAC Name: 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
SYSTEMATIC NAME: 3-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzenecarbonitrile
MOLECULAR FORMULA: C18H13Cl2N5O
MOLECULAR WEIGHT: 386.23472
SMILES: C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)C#N
Structure:
CAS RN: 25396-75-2
CAS Name: 4-[[3-[4-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]butyl]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[[3-[4-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]butyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
IUPAC Name: 4-[[3-[4-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]butyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[3-[4-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]butyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C26H25Cl2FN5O2S+
MOLECULAR WEIGHT: 561.478403
SMILES: C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)S(=O)(=O)F)CCCCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 87871-35-0
CAS Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H16N6
MOLECULAR WEIGHT: 232.28494
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)N)N)N)C
Structure:
CAS RN: 77113-81-6
CAS Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(4-aminophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H16N6
MOLECULAR WEIGHT: 232.28494
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)N)N)N)C
Structure:
CAS RN: 25095-51-6
CAS Name: 4-[2-[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[2-[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[2-[3-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[2-[3-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]ethyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C26H25Cl2FN4O6S2
MOLECULAR WEIGHT: 643.534303
SMILES: C1=CC(=CC(=C1)CCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CCC4=CC=C(C=C4)S(=O)(=O)F.OS(=O)(=O)O
Structure:
CAS RN: 89943-04-4
CAS Name: 2-(2-pyridinylamino)ethanol
OPENEYE Name: 2-(2-pyridylamino)ethanol
IUPAC Name: 2-(pyridin-2-ylamino)ethanol
SYSTEMATIC NAME: 2-(pyridin-2-ylamino)ethanol
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: C1=CC=NC(=C1)NCCO
Structure:
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