CAS RN: 123974-61-8
CAS Name: 1-nitro-4-octadecoxybenzene
OPENEYE Name: 1-nitro-4-octadecoxy-benzene
IUPAC Name: 1-nitro-4-octadecoxybenzene
SYSTEMATIC NAME: 1-nitro-4-octadecoxy-benzene
MOLECULAR FORMULA: C24H41NO3
MOLECULAR WEIGHT: 391.58724
SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 18981-62-9
CAS Name: methanesulfonic acid (4-azido-6-methoxy-2-methyl-3-oxanyl) ester
OPENEYE Name: (4-azido-6-methoxy-2-methyl-tetrahydropyran-3-yl) methanesulfonate
IUPAC Name: (4-azido-6-methoxy-2-methyloxan-3-yl) methanesulfonate
SYSTEMATIC NAME: (4-azido-6-methoxy-2-methyl-oxan-3-yl) methanesulfonate
MOLECULAR FORMULA: C8H15N3O5S
MOLECULAR WEIGHT: 265.2868
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])OS(=O)(=O)C
Structure:
CAS RN: 87357-49-1
CAS Name: methanesulfonic acid (4-azido-6-methoxy-2-methyl-3-oxanyl) ester
OPENEYE Name: (4-azido-6-methoxy-2-methyl-tetrahydropyran-3-yl) methanesulfonate
IUPAC Name: (4-azido-6-methoxy-2-methyloxan-3-yl) methanesulfonate
SYSTEMATIC NAME: (4-azido-6-methoxy-2-methyl-oxan-3-yl) methanesulfonate
MOLECULAR FORMULA: C8H15N3O5S
MOLECULAR WEIGHT: 265.2868
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])OS(=O)(=O)C
Structure:
CAS RN: 13039-46-8
CAS Name: 9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: COC1C(C(OC1N2C=NC3=C2NC=NC3=S)CO)O
Structure:
CAS RN: 6635-35-4
CAS Name: 5-nitrobenzene-1,2,4-triamine
OPENEYE Name: 5-nitrobenzene-1,2,4-triamine
IUPAC Name: 5-nitrobenzene-1,2,4-triamine
SYSTEMATIC NAME: 5-nitrobenzene-1,2,4-triamine
MOLECULAR FORMULA: C6H8N4O2
MOLECULAR WEIGHT: 168.15332
SMILES: C1=C(C(=CC(=C1N)[N+](=O)[O-])N)N
Structure:
CAS RN: 7155-33-1
CAS Name: 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxo-1-propen-1-olate
OPENEYE Name: 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxo-prop-1-en-1-olate
IUPAC Name: 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxoprop-1-en-1-olate
SYSTEMATIC NAME: 2-diazonio-3-(3,5-dinitrophenyl)-1-methoxy-3-oxidanylidene-prop-1-en-1-olate
MOLECULAR FORMULA: C10H6N4O7
MOLECULAR WEIGHT: 294.17724
SMILES: COC(=C(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+]#N)[O-]
Structure:
CAS RN: 67118-55-2
CAS Name: potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
OPENEYE Name: potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
IUPAC Name: potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SYSTEMATIC NAME: potassium 2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoate
MOLECULAR FORMULA: C6F11KO3
MOLECULAR WEIGHT: 368.143135
SMILES: C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[O-].[K+]
Structure:
CAS RN: 2859-30-5
CAS Name: 2-chloro-3-phenylquinoline
OPENEYE Name: 2-chloro-3-phenyl-quinoline
IUPAC Name: 2-chloro-3-phenylquinoline
SYSTEMATIC NAME: 2-chloranyl-3-phenyl-quinoline
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N=C2Cl
Structure:
CAS RN: 98534-82-8
CAS Name: 1-(3-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid
OPENEYE Name: 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
IUPAC Name: 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H6ClF3N2O2
MOLECULAR WEIGHT: 290.62575
SMILES: C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)O)C(F)(F)F
Structure:
CAS RN: 64510-99-2
CAS Name: 4-[[4-(dimethylamino)phenyl]methylideneamino]benzenecarbothioamide
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]methyleneamino]benzenecarbothioamide
IUPAC Name: 4-[[4-(dimethylamino)phenyl]methylideneamino]benzenecarbothioamide
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]methylideneamino]benzenecarbothioamide
MOLECULAR FORMULA: C16H17N3S
MOLECULAR WEIGHT: 283.39128
SMILES: CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 7596-04-5
CAS Name: 5-(2,3-dibromopropyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(2,3-dibromopropyl)-5-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(2,3-dibromopropyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[2,3-bis(bromanyl)propyl]-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H12Br2N2O2S
MOLECULAR WEIGHT: 372.07678
SMILES: CCC1(C(=O)NC(=S)NC1=O)CC(CBr)Br
Structure:
CAS RN: 6306-85-0
CAS Name: 5-sulfanylidene-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
OPENEYE Name: 5-thioxo-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
IUPAC Name: 5-sulfanylidene-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-sulfanylidene-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
MOLECULAR FORMULA: C4H2N4OS2
MOLECULAR WEIGHT: 186.21488
SMILES: C12=NSNC1=NC(=S)NC2=O
Structure:
CAS RN: 57165-44-3
CAS Name: acetic acid [4,5-diacetyloxy-6-[[sulfanylidene-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]methyl]amino]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C32H38N2O11S2
MOLECULAR WEIGHT: 690.78092
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=S)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC
Structure:
CAS RN: 57165-45-4
CAS Name: acetic acid [4,5-diacetyloxy-6-[[sulfanylidene-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]amino]methyl]amino]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamothioylamino]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C32H38N2O11S2
MOLECULAR WEIGHT: 690.78092
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=S)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC
Structure:
CAS RN: 7144-17-4
CAS Name: [(6-methoxy-5-nitro-4-pyrimidinyl)amino]urea
OPENEYE Name: [(6-methoxy-5-nitro-pyrimidin-4-yl)amino]urea
IUPAC Name: [(6-methoxy-5-nitropyrimidin-4-yl)amino]urea
SYSTEMATIC NAME: 1-[(6-methoxy-5-nitro-pyrimidin-4-yl)amino]urea
MOLECULAR FORMULA: C6H8N6O4
MOLECULAR WEIGHT: 228.16552
SMILES: COC1=NC=NC(=C1[N+](=O)[O-])NNC(=O)N
Structure:
CAS RN: 6358-69-6
CAS Name: 8-hydroxypyrene-1,3,6-trisulfonate
OPENEYE Name: 8-hydroxypyrene-1,3,6-trisulfonate
IUPAC Name: 8-hydroxypyrene-1,3,6-trisulfonate
SYSTEMATIC NAME: 8-oxidanylpyrene-1,3,6-trisulfonate
MOLECULAR FORMULA: C16H7O10S3-3
MOLECULAR WEIGHT: 455.41578
SMILES: C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=O)[O-]
Structure:
CAS RN: 96885-61-9
CAS Name: 6-(4-methoxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 6-(4-methoxyphenyl)-2,4-dimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 6-(4-methoxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C23H21N5O3
MOLECULAR WEIGHT: 415.44454
SMILES: CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)OC)N(C(=O)N(C4=O)C)C
Structure:
CAS RN: 7722-49-8
CAS Name: 7-(methylthio)-1H-imidazo[4,5-b]pyridine
OPENEYE Name: 7-methylsulfanyl-1H-imidazo[4,5-b]pyridine
IUPAC Name: 7-methylsulfanyl-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 7-methylsulfanyl-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: CSC1=C2C(=NC=C1)N=CN2
Structure:
CAS RN: 15571-16-1
CAS Name: 2-azidoacetic acid [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-azidoacetate
IUPAC Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-azidoacetate
SYSTEMATIC NAME: [10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-azidoethanoate
MOLECULAR FORMULA: C25H33N3O7
MOLECULAR WEIGHT: 487.54542
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CN=[N+]=[N-])C=O)O
Structure:
CAS RN: 54529-75-8
CAS Name: 1-diphenoxyphosphoryl-3-(1-piperidinyl)thiourea
OPENEYE Name: 1-diphenoxyphosphoryl-3-(1-piperidyl)thiourea
IUPAC Name: 1-diphenoxyphosphoryl-3-piperidin-1-ylthiourea
SYSTEMATIC NAME: 1-diphenoxyphosphoryl-3-piperidin-1-yl-thiourea
MOLECULAR FORMULA: C18H22N3O3PS
MOLECULAR WEIGHT: 391.424341
SMILES: C1CCN(CC1)NC(=S)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 6297-31-0
CAS Name: 1-(dimethylamino)-3-ethylthiourea
OPENEYE Name: 1-(dimethylamino)-3-ethyl-thiourea
IUPAC Name: 1-(dimethylamino)-3-ethylthiourea
SYSTEMATIC NAME: 1-(dimethylamino)-3-ethyl-thiourea
MOLECULAR FORMULA: C5H13N3S
MOLECULAR WEIGHT: 147.24182
SMILES: CCNC(=S)NN(C)C
Structure:
CAS RN: 5429-52-7
CAS Name: 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid methyl ester
OPENEYE Name: methyl 4-oxo-2-thioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
IUPAC Name: methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
SYSTEMATIC NAME: methyl 4-oxidanylidene-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
MOLECULAR FORMULA: C10H12N2O3S
MOLECULAR WEIGHT: 240.27888
SMILES: COC(=O)C1CCC2=C(C1)C(=O)NC(=S)N2
Structure:
CAS RN: 79491-01-3
CAS Name: 1-[(4-chloroanilino)-sulfanylidenemethyl]-3-propan-2-ylthiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-(isopropylcarbamothioyl)thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-(propan-2-ylcarbamothioyl)thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(propan-2-ylcarbamothioyl)thiourea
MOLECULAR FORMULA: C11H14ClN3S2
MOLECULAR WEIGHT: 287.83196
SMILES: CC(C)NC(=S)NC(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 15569-99-0
CAS Name: 4-(methylamino)-4-(3-pyridinyl)butanoic acid
OPENEYE Name: 4-(methylamino)-4-(3-pyridyl)butanoic acid
IUPAC Name: 4-(methylamino)-4-pyridin-3-ylbutanoic acid
SYSTEMATIC NAME: 4-(methylamino)-4-pyridin-3-yl-butanoic acid
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CNC(CCC(=O)O)C1=CN=CC=C1
Structure:
CAS RN: 19318-83-3
CAS Name: 1-[2-methyl-5-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-[3-(allylcarbamothioylamino)-4-methyl-phenyl]thiourea
IUPAC Name: 1-[2-methyl-5-(prop-2-enylcarbamothioylamino)phenyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[2-methyl-5-(prop-2-enylcarbamothioylamino)phenyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C15H20N4S2
MOLECULAR WEIGHT: 320.4761
SMILES: CC1=C(C=C(C=C1)NC(=S)NCC=C)NC(=S)NCC=C
Structure:
CAS RN: 81864-62-2
CAS Name: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
OPENEYE Name: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
IUPAC Name: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
SYSTEMATIC NAME: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1COC2=C(C=C(C(=C2)N)[N+](=O)[O-])OC1
Structure:
CAS RN: 117924-33-1
CAS Name: N-[bis[(2-methylpropan-2-yl)oxy]phosphino]-N-ethylethanamine
OPENEYE Name: N-ditert-butoxyphosphanyl-N-ethyl-ethanamine
IUPAC Name: N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C12H28NO2P
MOLECULAR WEIGHT: 249.329981
SMILES: CCN(CC)P(OC(C)(C)C)OC(C)(C)C
Structure:
CAS RN: 616-39-7
CAS Name: diethyl(methyl)ammonium
OPENEYE Name: diethyl(methyl)ammonium
IUPAC Name: diethyl(methyl)azanium
SYSTEMATIC NAME: diethyl(methyl)azanium
MOLECULAR FORMULA: C5H14N+
MOLECULAR WEIGHT: 88.17136
SMILES: CC[NH+](C)CC
Structure:
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