CAS RN: 67324-95-2
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]butanedioic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]butanedioic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]butanedioic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)butanedioic acid
MOLECULAR FORMULA: C6H8ClNO5
MOLECULAR WEIGHT: 209.58442
SMILES: C(C(C(=O)O)NC(=O)CCl)C(=O)O
Structure:
CAS RN: 50299-14-4
CAS Name: 2-acetamido-4-pentenoic acid
OPENEYE Name: 2-acetamidopent-4-enoic acid
IUPAC Name: 2-acetamidopent-4-enoic acid
SYSTEMATIC NAME: 2-acetamidopent-4-enoic acid
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CC(=O)NC(CC=C)C(=O)O
Structure:
CAS RN: 17607-28-2
CAS Name: 2-acetamido-3-(3-fluorophenyl)propanoic acid
OPENEYE Name: 2-acetamido-3-(3-fluorophenyl)propanoic acid
IUPAC Name: 2-acetamido-3-(3-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-(3-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C11H12FNO3
MOLECULAR WEIGHT: 225.216283
SMILES: CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
Structure:
CAS RN: 17285-23-3
CAS Name: 3-chloro-6-hydroxy-1H-pyridazin-4-one
OPENEYE Name: 3-chloro-6-hydroxy-1H-pyridazin-4-one
IUPAC Name: 3-chloro-6-hydroxy-1H-pyridazin-4-one
SYSTEMATIC NAME: 3-chloranyl-6-oxidanyl-1H-pyridazin-4-one
MOLECULAR FORMULA: C4H3ClN2O2
MOLECULAR WEIGHT: 146.53182
SMILES: C1=C(NN=C(C1=O)Cl)O
Structure:
CAS RN: 78586-44-4
CAS Name: N'-[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-pyrazolo[3,4-d]pyrimidinyl]-N,N-dimethylmethanimidamide
OPENEYE Name: N'-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-formamidine
IUPAC Name: N'-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H18N6O4
MOLECULAR WEIGHT: 322.31982
SMILES: CN(C)C=NC1=C2C=NN(C2=NC=N1)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 78226-90-1
CAS Name: acetic acid (5,8-diacetyloxy-7-methyl-9,10-dioxo-1-anthracenyl) ester
OPENEYE Name: (5,8-diacetoxy-7-methyl-9,10-dioxo-1-anthryl) acetate
IUPAC Name: (5,8-diacetyloxy-7-methyl-9,10-dioxoanthracen-1-yl) acetate
SYSTEMATIC NAME: [5,8-diacetyloxy-7-methyl-9,10-bis(oxidanylidene)anthracen-1-yl] ethanoate
MOLECULAR FORMULA: C21H16O8
MOLECULAR WEIGHT: 396.34694
SMILES: CC1=CC(=C2C(=C1OC(=O)C)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C)OC(=O)C
Structure:
CAS RN: 38554-25-5
CAS Name: 6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C21H18O8
MOLECULAR WEIGHT: 398.36282
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CCC4=C3O)(C(=O)CO)O)O
Structure:
CAS RN: 58994-96-0
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[(3,4,5-trihydroxy-6-methoxy-2-oxanyl)methyl]urea
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl]urea
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[[6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-1-nitroso-urea
MOLECULAR FORMULA: C10H18ClN3O7
MOLECULAR WEIGHT: 327.71882
SMILES: COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O
Structure:
CAS RN: 71586-69-1
CAS Name: N'-[(2-imino-1-benzopyran-3-yl)-oxomethyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-(2-iminochromene-3-carbonyl)pyridine-4-carbohydrazide
IUPAC Name: N'-(2-iminochromene-3-carbonyl)pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-(2-azanylidenechromen-3-yl)carbonylpyridine-4-carbohydrazide
MOLECULAR FORMULA: C16H12N4O3
MOLECULAR WEIGHT: 308.29148
SMILES: C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NNC(=O)C3=CC=NC=C3
Structure:
CAS RN: 52494-66-3
CAS Name: N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanehydrazonic acid ethyl ester
OPENEYE Name: ethyl N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanehydrazonate
IUPAC Name: ethyl N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanehydrazonate
SYSTEMATIC NAME: ethyl N-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanehydrazonate
MOLECULAR FORMULA: C8H9ClN6O
MOLECULAR WEIGHT: 240.64966
SMILES: CCOC=NNC1=NN2C(=NN=C2Cl)C=C1
Structure:
CAS RN: 52494-65-2
CAS Name: N-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]formamide
OPENEYE Name: N-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]formamide
IUPAC Name: N-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]formamide
SYSTEMATIC NAME: N-[(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methanamide
MOLECULAR FORMULA: C6H5ClN6O
MOLECULAR WEIGHT: 212.5965
SMILES: C1=CC2=NN=C(N2N=C1NNC=O)Cl
Structure:
CAS RN: 33183-96-9
CAS Name: (3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazine
OPENEYE Name: (3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazine
IUPAC Name: (3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazine
SYSTEMATIC NAME: (3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)diazane
MOLECULAR FORMULA: C5H5ClN6
MOLECULAR WEIGHT: 184.5864
SMILES: C1=CC2=NN=C(N2N=C1NN)Cl
Structure:
CAS RN: 76211-92-2
CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-5-nitropyridine
OPENEYE Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyridine
IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
SYSTEMATIC NAME: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyridine
MOLECULAR FORMULA: C10H10N4O2
MOLECULAR WEIGHT: 218.212
SMILES: CC1=CC(=NN1C2=NC=C(C=C2)[N+](=O)[O-])C
Structure:
CAS RN: 37124-65-5
CAS Name: 3-(1,3-benzodioxol-5-yl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester; hydrazine
OPENEYE Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-oxo-1,2-dihydropyrazole-4-carboxylate; hydrazine
IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-oxo-1,2-dihydropyrazole-4-carboxylate; hydrazine
SYSTEMATIC NAME: diazane; ethyl 3-(1,3-benzodioxol-5-yl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate
MOLECULAR FORMULA: C13H16N4O5
MOLECULAR WEIGHT: 308.28994
SMILES: CCOC(=O)C1=C(NNC1=O)C2=CC3=C(C=C2)OCO3.NN
Structure:
CAS RN: 32083-52-6
CAS Name: 5-(4-methylphenyl)sulfonyl-4-pyrimidinamine
OPENEYE Name: 5-(p-tolylsulfonyl)pyrimidin-4-amine
IUPAC Name: 5-(4-methylphenyl)sulfonylpyrimidin-4-amine
SYSTEMATIC NAME: 5-(4-methylphenyl)sulfonylpyrimidin-4-amine
MOLECULAR FORMULA: C11H11N3O2S
MOLECULAR WEIGHT: 249.28894
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CN=CN=C2N
Structure:
CAS RN: 32083-57-1
CAS Name: 5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
OPENEYE Name: 5-(p-tolylsulfonyl)pyrimidine-2,4-diamine
IUPAC Name: 5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(4-methylphenyl)sulfonylpyrimidine-2,4-diamine
MOLECULAR FORMULA: C11H12N4O2S
MOLECULAR WEIGHT: 264.30358
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)N
Structure:
CAS RN: 34910-60-6
CAS Name: acetic acid (5-acetyloxy-1-oxo-4-dithianyl) ester
OPENEYE Name: (5-acetoxy-1-oxo-dithian-4-yl) acetate
IUPAC Name: (5-acetyloxy-1-oxodithian-4-yl) acetate
SYSTEMATIC NAME: (5-acetyloxy-1-oxidanylidene-1,2-dithian-4-yl) ethanoate
MOLECULAR FORMULA: C8H12O5S2
MOLECULAR WEIGHT: 252.30788
SMILES: CC(=O)OC1CSS(=O)CC1OC(=O)C
Structure:
CAS RN: 16533-36-1
CAS Name: 5-methyl-2-nitrobenzene-1,3-diol
OPENEYE Name: 5-methyl-2-nitro-benzene-1,3-diol
IUPAC Name: 5-methyl-2-nitrobenzene-1,3-diol
SYSTEMATIC NAME: 5-methyl-2-nitro-benzene-1,3-diol
MOLECULAR FORMULA: C7H7NO4
MOLECULAR WEIGHT: 169.13478
SMILES: CC1=CC(=C(C(=C1)O)[N+](=O)[O-])O
Structure:
CAS RN: 23585-63-9
CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-6-methylpyridazine
OPENEYE Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyridazine
IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methylpyridazine
SYSTEMATIC NAME: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyridazine
MOLECULAR FORMULA: C10H12N4
MOLECULAR WEIGHT: 188.22908
SMILES: CC1=NN=C(C=C1)N2C(=CC(=N2)C)C
Structure:
CAS RN: 52476-71-8
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)tetrazolo[1,5-b]pyridazine
OPENEYE Name: 6-(3,5-dimethylpyrazol-1-yl)tetrazolo[1,5-b]pyridazine
IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)tetrazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-(3,5-dimethylpyrazol-1-yl)-[1,2,3,4]tetrazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C9H9N7
MOLECULAR WEIGHT: 215.21466
SMILES: CC1=CC(=NN1C2=NN3C(=NN=N3)C=C2)C
Structure:
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