CAS RN: 56918-98-0
CAS Name: N-dodecyl-N-hydroxybenzamide
OPENEYE Name: N-dodecyl-N-hydroxy-benzamide
IUPAC Name: N-dodecyl-N-hydroxybenzamide
SYSTEMATIC NAME: N-dodecyl-N-oxidanyl-benzamide
MOLECULAR FORMULA: C19H31NO2
MOLECULAR WEIGHT: 305.45494
SMILES: CCCCCCCCCCCCN(C(=O)C1=CC=CC=C1)O
Structure:
CAS RN: 61562-59-2
CAS Name: 7-(fluoromethyl)-2,4-dimethyl-7,8-dihydropurino[8,7-b]oxazole-1,3-dione
OPENEYE Name: 7-(fluoromethyl)-2,4-dimethyl-7,8-dihydropurino[8,7-b]oxazole-1,3-dione
IUPAC Name: 7-(fluoromethyl)-2,4-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
SYSTEMATIC NAME: 7-(fluoranylmethyl)-2,4-dimethyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
MOLECULAR FORMULA: C10H11FN4O3
MOLECULAR WEIGHT: 254.217743
SMILES: CN1C2=C(C(=O)N(C1=O)C)N3CC(OC3=N2)CF
Structure:
CAS RN: 61562-60-5
CAS Name: 7-(3-fluoro-2-hydroxypropyl)-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione
OPENEYE Name: 7-(3-fluoro-2-hydroxy-propyl)-1,3-dimethyl-8-morpholino-purine-2,6-dione
IUPAC Name: 7-(3-fluoro-2-hydroxypropyl)-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
SYSTEMATIC NAME: 7-(3-fluoranyl-2-oxidanyl-propyl)-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione
MOLECULAR FORMULA: C14H20FN5O4
MOLECULAR WEIGHT: 341.338103
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(CF)O
Structure:
CAS RN: 61562-57-0
CAS Name: 8-bromo-7-(3-fluoro-2-oxopropyl)-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 8-bromo-7-(3-fluoro-2-oxo-propyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 8-bromo-7-(3-fluoro-2-oxopropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-bromanyl-7-(3-fluoranyl-2-oxidanylidene-propyl)-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C10H10BrFN4O3
MOLECULAR WEIGHT: 333.113803
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)CF
Structure:
CAS RN: 61562-56-9
CAS Name: 8-bromo-7-(3-fluoro-2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 8-bromo-7-(3-fluoro-2-hydroxy-propyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 8-bromo-7-(3-fluoro-2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-bromanyl-7-(3-fluoranyl-2-oxidanyl-propyl)-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C10H12BrFN4O3
MOLECULAR WEIGHT: 335.129683
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(CF)O
Structure:
CAS RN: 66229-26-3
CAS Name: 1-chloro-4-[(4-chlorophenyl)-(trichloromethylsulfonyl)methyl]benzene
OPENEYE Name: 1-chloro-4-[(4-chlorophenyl)-(trichloromethylsulfonyl)methyl]benzene
IUPAC Name: 1-chloro-4-[(4-chlorophenyl)-(trichloromethylsulfonyl)methyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chlorophenyl)-(trichloromethylsulfonyl)methyl]benzene
MOLECULAR FORMULA: C14H9Cl5O2S
MOLECULAR WEIGHT: 418.55006
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)S(=O)(=O)C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 17452-81-2
CAS Name: 5-(2-furanyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(2-furyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(furan-2-yl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(furan-2-yl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C6H3NO3S
MOLECULAR WEIGHT: 169.15792
SMILES: C1=COC(=C1)C2=NSC(=O)O2
Structure:
CAS RN: 23589-77-7
CAS Name: 5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H4N2O4S
MOLECULAR WEIGHT: 224.19336
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NSC(=O)O2
Structure:
CAS RN: 52118-29-3
CAS Name: 5-(4-chloro-3-nitrophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(4-chloro-3-nitro-phenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(4-chloro-3-nitrophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(4-chloranyl-3-nitro-phenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H3ClN2O4S
MOLECULAR WEIGHT: 258.63842
SMILES: C1=CC(=C(C=C1C2=NSC(=O)O2)[N+](=O)[O-])Cl
Structure:
CAS RN: 52059-75-3
CAS Name: 5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
IUPAC Name: 5-[3-(dichloromethyl)phenyl]-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-[3-[bis(chloranyl)methyl]phenyl]-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C9H5Cl2NO2S
MOLECULAR WEIGHT: 262.1125
SMILES: C1=CC(=CC(=C1)C(Cl)Cl)C2=NSC(=O)O2
Structure:
CAS RN: 52059-68-4
CAS Name: 5-(3-iodophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(3-iodophenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(3-iodophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(3-iodanylphenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H4INO2S
MOLECULAR WEIGHT: 305.09233
SMILES: C1=CC(=CC(=C1)I)C2=NSC(=O)O2
Structure:
CAS RN: 52059-67-3
CAS Name: 5-(2-iodophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(2-iodophenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(2-iodophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(2-iodanylphenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H4INO2S
MOLECULAR WEIGHT: 305.09233
SMILES: C1=CC=C(C(=C1)C2=NSC(=O)O2)I
Structure:
CAS RN: 52059-66-2
CAS Name: 5-(2-bromophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(2-bromophenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(2-bromophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(2-bromophenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H4BrNO2S
MOLECULAR WEIGHT: 258.09186
SMILES: C1=CC=C(C(=C1)C2=NSC(=O)O2)Br
Structure:
CAS RN: 52059-64-0
CAS Name: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(3-fluorophenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C8H4FNO2S
MOLECULAR WEIGHT: 197.186263
SMILES: C1=CC(=CC(=C1)F)C2=NSC(=O)O2
Structure:
CAS RN: 52059-62-8
CAS Name: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one
OPENEYE Name: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one
IUPAC Name: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one
SYSTEMATIC NAME: 5-(3-methoxyphenyl)-1,3,4-oxathiazol-2-one
MOLECULAR FORMULA: C9H7NO3S
MOLECULAR WEIGHT: 209.22178
SMILES: COC1=CC=CC(=C1)C2=NSC(=O)O2
Structure:
CAS RN: 65626-88-2
CAS Name: 10-(3,4-dichlorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
OPENEYE Name: 10-(3,4-dichlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione
IUPAC Name: 10-(3,4-dichlorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 10-(3,4-dichlorophenyl)-3-methyl-benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C17H10Cl2N4O2
MOLECULAR WEIGHT: 373.1929
SMILES: CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 65626-86-0
CAS Name: 10-(3,4-dimethylphenyl)-3-methylbenzo[g]pteridine-2,4-dione
OPENEYE Name: 10-(3,4-dimethylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione
IUPAC Name: 10-(3,4-dimethylphenyl)-3-methylbenzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 10-(3,4-dimethylphenyl)-3-methyl-benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C19H16N4O2
MOLECULAR WEIGHT: 332.35594
SMILES: CC1=C(C=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C
Structure:
CAS RN: 52249-89-5
CAS Name: 1-(4-methoxy-2-phenylmethoxyphenyl)-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2-propen-1-one
OPENEYE Name: 3-(6-benzyloxy-1,3-benzodioxol-5-yl)-1-(2-benzyloxy-4-methoxy-phenyl)prop-2-en-1-one
IUPAC Name: 1-(4-methoxy-2-phenylmethoxyphenyl)-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-methoxy-2-phenylmethoxy-phenyl)-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)prop-2-en-1-one
MOLECULAR FORMULA: C31H26O6
MOLECULAR WEIGHT: 494.53454
SMILES: COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2OCC4=CC=CC=C4)OCO3)OCC5=CC=CC=C5
Structure:
CAS RN: 52250-32-5
CAS Name: 7-furo[2,3-f][1,3]benzodioxolyl-(2-hydroxy-4-methoxyphenyl)methanone
OPENEYE Name: furo[2,3-f][1,3]benzodioxol-7-yl-(2-hydroxy-4-methoxy-phenyl)methanone
IUPAC Name: furo[2,3-f][1,3]benzodioxol-7-yl-(2-hydroxy-4-methoxyphenyl)methanone
SYSTEMATIC NAME: furo[2,3-f][1,3]benzodioxol-7-yl-(4-methoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C17H12O6
MOLECULAR WEIGHT: 312.27358
SMILES: COC1=CC(=C(C=C1)C(=O)C2=COC3=CC4=C(C=C32)OCO4)O
Structure:
CAS RN: 79566-28-2
CAS Name: 3-(3,4-dimethoxy-2-phenylmethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: 3-(2-benzyloxy-3,4-dimethoxy-phenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
IUPAC Name: 3-(3,4-dimethoxy-2-phenylmethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 3-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C25H24O6
MOLECULAR WEIGHT: 420.45446
SMILES: COC1=CC(=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3)O
Structure:
CAS RN: 36685-61-7
CAS Name: 1-(2-hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: 1-(2-hydroxy-4-methoxy-phenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-methoxy-2-oxidanyl-phenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: COC1=CC(=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2)OC)OC)OC)O
Structure:
CAS RN: 79592-96-4
CAS Name: 3-(3,4-dimethoxy-2-phenylmethoxyphenyl)-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 3-(2-benzyloxy-3,4-dimethoxy-phenyl)-7-methoxy-chromen-4-one
IUPAC Name: 3-(3,4-dimethoxy-2-phenylmethoxyphenyl)-7-methoxychromen-4-one
SYSTEMATIC NAME: 3-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-7-methoxy-chromen-4-one
MOLECULAR FORMULA: C25H22O6
MOLECULAR WEIGHT: 418.43858
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C(=C(C=C3)OC)OC)OCC4=CC=CC=C4
Structure:
CAS RN: 5065-06-5
CAS Name: 7-methoxy-3-(2,3,4-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-methoxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one
IUPAC Name: 7-methoxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 17734-91-7
CAS Name: acetic acid [8-acetyloxy-7-(1,8-diacetyloxy-6-methyl-2-naphthalenyl)-3-methyl-1-naphthalenyl] ester
OPENEYE Name: [8-acetoxy-7-(1,8-diacetoxy-6-methyl-2-naphthyl)-3-methyl-1-naphthyl] acetate
IUPAC Name: [8-acetyloxy-7-(1,8-diacetyloxy-6-methylnaphthalen-2-yl)-3-methylnaphthalen-1-yl] acetate
SYSTEMATIC NAME: [8-acetyloxy-7-(1,8-diacetyloxy-6-methyl-naphthalen-2-yl)-3-methyl-naphthalen-1-yl] ethanoate
MOLECULAR FORMULA: C30H26O8
MOLECULAR WEIGHT: 514.52264
SMILES: CC1=CC(=C2C(=C1)C=CC(=C2OC(=O)C)C3=C(C4=C(C=C(C=C4C=C3)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 56910-46-4
CAS Name: N-[5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
IUPAC Name: methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
MOLECULAR FORMULA: C9H10N6O4S
MOLECULAR WEIGHT: 298.2785
SMILES: CC1=NC=C(N1CC2=NN=C(S2)NC(=O)OC)[N+](=O)[O-]
Structure:
CAS RN: 56910-31-7
CAS Name: 5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H8N6O2S
MOLECULAR WEIGHT: 240.24242
SMILES: CC1=NC=C(N1CC2=NN=C(S2)N)[N+](=O)[O-]
Structure:
CAS RN: 56910-59-9
CAS Name: 2-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,3,4-thiadiazole
OPENEYE Name: 2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazole
IUPAC Name: 2-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,3,4-thiadiazole
MOLECULAR FORMULA: C7H7N5O2S
MOLECULAR WEIGHT: 225.22778
SMILES: CC1=NC=C(N1CC2=NN=CS2)[N+](=O)[O-]
Structure:
CAS RN: 63075-76-3
CAS Name: 2-phenyl-1,2$l^{5}-azaphosphorinane 2-oxide
OPENEYE Name: 2-phenyl-1,2$l^{5}-azaphosphinane 2-oxide
IUPAC Name: 2-phenyl-1,2$l^{5}-azaphosphinane 2-oxide
SYSTEMATIC NAME: 2-phenyl-1,2$l^{5}-azaphosphinane 2-oxide
MOLECULAR FORMULA: C10H14NOP
MOLECULAR WEIGHT: 195.198021
SMILES: C1CCP(=O)(NC1)C2=CC=CC=C2
Structure:
CAS RN: 63075-74-1
CAS Name: 2-phenyl-1-(phenylmethyl)-1,2$l^{5}-azaphosphorinane 2-oxide
OPENEYE Name: 1-benzyl-2-phenyl-1,2$l^{5}-azaphosphinane 2-oxide
IUPAC Name: 1-benzyl-2-phenyl-1,2$l^{5}-azaphosphinane 2-oxide
SYSTEMATIC NAME: 2-phenyl-1-(phenylmethyl)-1,2$l^{5}-azaphosphinane 2-oxide
MOLECULAR FORMULA: C17H20NOP
MOLECULAR WEIGHT: 285.320561
SMILES: C1CCP(=O)(N(C1)CC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 63075-72-9
CAS Name: N-[4-bromobutyl(phenyl)phosphoryl]-1-phenylmethanamine
OPENEYE Name: N-[4-bromobutyl(phenyl)phosphoryl]-1-phenyl-methanamine
IUPAC Name: N-[4-bromobutyl(phenyl)phosphoryl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[4-bromanylbutyl(phenyl)phosphoryl]-1-phenyl-methanamine
MOLECULAR FORMULA: C17H21BrNOP
MOLECULAR WEIGHT: 366.232501
SMILES: C1=CC=C(C=C1)CNP(=O)(CCCCBr)C2=CC=CC=C2
Structure:
CAS RN: 63075-69-4
CAS Name: 2-ethoxy-1-(phenylmethyl)-1,2$l^{5}-azaphosphorinane 2-oxide
OPENEYE Name: 1-benzyl-2-ethoxy-1,2$l^{5}-azaphosphinane 2-oxide
IUPAC Name: 1-benzyl-2-ethoxy-1,2$l^{5}-azaphosphinane 2-oxide
SYSTEMATIC NAME: 2-ethoxy-1-(phenylmethyl)-1,2$l^{5}-azaphosphinane 2-oxide
MOLECULAR FORMULA: C13H20NO2P
MOLECULAR WEIGHT: 253.277161
SMILES: CCOP1(=O)CCCCN1CC2=CC=CC=C2
Structure:
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