CAS RN: 67693-31-6
CAS Name: 4-azido-6-methoxy-2-methylene-3-oxanol
OPENEYE Name: 4-azido-6-methoxy-2-methylene-tetrahydropyran-3-ol
IUPAC Name: 4-azido-6-methoxy-2-methylideneoxan-3-ol
SYSTEMATIC NAME: 4-azido-6-methoxy-2-methylidene-oxan-3-ol
MOLECULAR FORMULA: C7H11N3O3
MOLECULAR WEIGHT: 185.18054
SMILES: COC1CC(C(C(=C)O1)O)N=[N+]=[N-]
Structure:
CAS RN: 90946-99-9
CAS Name: 5-[(2-iodophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(2-iodophenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(2-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(2-iodanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H6INOS2
MOLECULAR WEIGHT: 347.19521
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)I
Structure:
CAS RN: 6300-90-9
CAS Name: 1-(1-naphthalenyl)-3-[(5-nitro-2-pyridinyl)amino]urea
OPENEYE Name: 1-(1-naphthyl)-3-[(5-nitro-2-pyridyl)amino]urea
IUPAC Name: 1-naphthalen-1-yl-3-[(5-nitropyridin-2-yl)amino]urea
SYSTEMATIC NAME: 1-naphthalen-1-yl-3-[(5-nitropyridin-2-yl)amino]urea
MOLECULAR FORMULA: C16H13N5O3
MOLECULAR WEIGHT: 323.30612
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC3=NC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 72973-88-7
CAS Name: 2-[[[4-[[2-amino-5-[ethylamino(sulfanylidene)methyl]-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[2-amino-5-(ethylcarbamothioyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[2-amino-5-(ethylcarbamothioyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2-azanyl-5-(ethylcarbamothioyl)-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H28N8O6S
MOLECULAR WEIGHT: 532.57272
SMILES: CCNC(=S)N1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 64606-03-7
CAS Name: N-[4-(5-nitro-6-oxo-1H-pyridin-3-yl)phenyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[4-(5-nitro-6-oxo-1H-pyridin-3-yl)phenyl]carbamate
IUPAC Name: benzyl N-[4-(5-nitro-6-oxo-1H-pyridin-3-yl)phenyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[4-(5-nitro-6-oxidanylidene-1H-pyridin-3-yl)phenyl]carbamate
MOLECULAR FORMULA: C19H15N3O5
MOLECULAR WEIGHT: 365.3395
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)C3=CNC(=O)C(=C3)[N+](=O)[O-]
Structure:
CAS RN: 850568-05-7
CAS Name: (5-fluoro-2-methoxycarbonylphenyl)boronic acid
OPENEYE Name: (5-fluoro-2-methoxycarbonyl-phenyl)boronic acid
IUPAC Name: (5-fluoro-2-methoxycarbonylphenyl)boronic acid
SYSTEMATIC NAME: (5-fluoranyl-2-methoxycarbonyl-phenyl)boronic acid
MOLECULAR FORMULA: C8H8BFO4
MOLECULAR WEIGHT: 197.956123
SMILES: B(C1=C(C=CC(=C1)F)C(=O)OC)(O)O
Structure:
CAS RN: 338454-45-8
CAS Name: [5-(hydroxymethyl)-2-thiophenyl]boronic acid
OPENEYE Name: [5-(hydroxymethyl)-2-thienyl]boronic acid
IUPAC Name: [5-(hydroxymethyl)thiophen-2-yl]boronic acid
SYSTEMATIC NAME: [5-(hydroxymethyl)thiophen-2-yl]boronic acid
MOLECULAR FORMULA: C5H7BO3S
MOLECULAR WEIGHT: 157.98328
SMILES: B(C1=CC=C(S1)CO)(O)O
Structure:
CAS RN: 192182-54-0
CAS Name: (3,5-dimethoxyphenyl)boronic acid
OPENEYE Name: (3,5-dimethoxyphenyl)boronic acid
IUPAC Name: (3,5-dimethoxyphenyl)boronic acid
SYSTEMATIC NAME: (3,5-dimethoxyphenyl)boronic acid
MOLECULAR FORMULA: C8H11BO4
MOLECULAR WEIGHT: 181.98154
SMILES: B(C1=CC(=CC(=C1)OC)OC)(O)O
Structure:
CAS RN: 90868-73-8
CAS Name: 2-amino-6-(3,4-dichloroanilino)-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(3,4-dichloroanilino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(3,4-dichloroanilino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-[(3,4-dichlorophenyl)amino]-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C10H8Cl2N4S
MOLECULAR WEIGHT: 287.16832
SMILES: C1=CC(=C(C=C1NC2=CC(=S)N=C(N2)N)Cl)Cl
Structure:
CAS RN: 14650-51-2
CAS Name: 2-diazonio-1-ethoxy-3-oxo-4-phenoxy-1-buten-1-olate
OPENEYE Name: 2-diazonio-1-ethoxy-3-oxo-4-phenoxy-but-1-en-1-olate
IUPAC Name: 2-diazonio-1-ethoxy-3-oxo-4-phenoxybut-1-en-1-olate
SYSTEMATIC NAME: 2-diazonio-1-ethoxy-3-oxidanylidene-4-phenoxy-but-1-en-1-olate
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: CCOC(=C(C(=O)COC1=CC=CC=C1)[N+]#N)[O-]
Structure:
CAS RN: 26049-70-7
CAS Name: [4-(4-nitrophenyl)-2-thiazolyl]hydrazine
OPENEYE Name: [4-(4-nitrophenyl)thiazol-2-yl]hydrazine
IUPAC Name: [4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazine
SYSTEMATIC NAME: [4-(4-nitrophenyl)-1,3-thiazol-2-yl]diazane
MOLECULAR FORMULA: C9H8N4O2S
MOLECULAR WEIGHT: 236.25042
SMILES: C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-]
Structure:
CAS RN: 97753-82-7
CAS Name: 2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(5-bromanyl-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H16BrNO6
MOLECULAR WEIGHT: 374.18394
SMILES: C1=CC2=C(C=C1Br)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 13337-53-6
CAS Name: 1-oxido-2-[2-(1-oxido-2-pyridin-1-iumyl)ethyl]pyridin-1-ium
OPENEYE Name: 1-oxido-2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]pyridin-1-ium
IUPAC Name: 1-oxido-2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]pyridin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1=CC=[N+](C(=C1)CCC2=CC=CC=[N+]2[O-])[O-]
Structure:
CAS RN: 56542-70-2
CAS Name: 3-(propylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 3-(propylsulfamoyl)benzenecarbothioamide
IUPAC Name: 3-(propylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 3-(propylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C10H14N2O2S2
MOLECULAR WEIGHT: 258.36036
SMILES: CCCNS(=O)(=O)C1=CC=CC(=C1)C(=S)N
Structure:
CAS RN: 92245-79-9
CAS Name: 5-but-2-enyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-but-2-enyl-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-but-2-enyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-but-2-enyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CC=CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2
Structure:
CAS RN: 3524-90-1
CAS Name: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]propanoic acid
OPENEYE Name: 3-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid
IUPAC Name: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid
MOLECULAR FORMULA: C8H8N4O2S2
MOLECULAR WEIGHT: 256.30472
SMILES: C1=NC2=C(NNC(=S)C2=N1)SCCC(=O)O
Structure:
CAS RN: 6632-70-8
CAS Name: 6-amino-1H-pyrimidine-2,4-dithione
OPENEYE Name: 6-amino-1H-pyrimidine-2,4-dithione
IUPAC Name: 6-amino-1H-pyrimidine-2,4-dithione
SYSTEMATIC NAME: 6-azanyl-1H-pyrimidine-2,4-dithione
MOLECULAR FORMULA: C4H5N3S2
MOLECULAR WEIGHT: 159.2326
SMILES: C1=C(NC(=S)NC1=S)N
Structure:
CAS RN: 35252-96-1
CAS Name: 6-(chloromethyl)-2-methyl-1H-pyrimidin-4-one
OPENEYE Name: 6-(chloromethyl)-2-methyl-1H-pyrimidin-4-one
IUPAC Name: 6-(chloromethyl)-2-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(chloromethyl)-2-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H7ClN2O
MOLECULAR WEIGHT: 6-(chloromethyl)-2-methyl-1H-pyrimidin-4-one
SMILES: CC1=NC(=O)C=C(N1)CCl
Structure:
CAS RN: 32588-36-6
CAS Name: 2-(1H-indol-2-yl)acetic acid
OPENEYE Name: 2-(1H-indol-2-yl)acetic acid
IUPAC Name: 2-(1H-indol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1H-indol-2-yl)ethanoic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1=CC=C2C(=C1)C=C(N2)CC(=O)O
Structure:
CAS RN: 28128-33-8
CAS Name: 7H-purine-6,8-diamine
OPENEYE Name: 7H-purine-6,8-diamine
IUPAC Name: 7H-purine-6,8-diamine
SYSTEMATIC NAME: 7H-purine-6,8-diamine
MOLECULAR FORMULA: C5H6N6
MOLECULAR WEIGHT: 150.14134
SMILES: C1=NC2=C(C(=N1)N)NC(=N2)N
Structure:
CAS RN: 93783-94-9
CAS Name: N-[4-(2H-tetrazol-5-ylsulfamoyl)phenyl]acetamide
OPENEYE Name: N-[4-(2H-tetrazol-5-ylsulfamoyl)phenyl]acetamide
IUPAC Name: N-[4-(2H-tetrazol-5-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2H-1,2,3,4-tetrazol-5-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H10N6O3S
MOLECULAR WEIGHT: 282.2791
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NNN=N2
Structure:
CAS RN: 6153-55-5
CAS Name: 3-anilino-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-1-butanone
OPENEYE Name: 3-anilino-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one
IUPAC Name: 3-anilino-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one
SYSTEMATIC NAME: 3-phenylazanyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one
MOLECULAR FORMULA: C19H27NO
MOLECULAR WEIGHT: 285.42378
SMILES: CC1=CCCC(C1C(=O)CC(C)NC2=CC=CC=C2)(C)C
Structure:
CAS RN: 92106-17-7
CAS Name: [[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]thiourea
OPENEYE Name: [[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyleneamino]thiourea
IUPAC Name: [[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C13H18Cl2N4S
MOLECULAR WEIGHT: 333.27982
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=S)N
Structure:
CAS RN: 5467-00-5
CAS Name: 1-[4-(1-oxopropyl)phenyl]-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-(4-propanoylphenyl)thiourea
IUPAC Name: 1-phenyl-3-(4-propanoylphenyl)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(4-propanoylphenyl)thiourea
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: CCC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
Structure:
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