CAS RN: 3458-01-3
CAS Name: [4-(1H-1,2,4-triazol-5-yl)phenyl]urea
OPENEYE Name: [4-(1H-1,2,4-triazol-5-yl)phenyl]urea
IUPAC Name: [4-(1H-1,2,4-triazol-5-yl)phenyl]urea
SYSTEMATIC NAME: 1-[4-(1H-1,2,4-triazol-5-yl)phenyl]urea
MOLECULAR FORMULA: C9H9N5O
MOLECULAR WEIGHT: 203.20066
SMILES: C1=CC(=CC=C1C2=NC=NN2)NC(=O)N
Structure:
CAS RN: 3454-56-6
CAS Name: cyclohexylsulfamic acid; N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)-2-propanamine
OPENEYE Name: cyclohexylsulfamic acid; N-methyl-1-phenyl-N-(2-thienylmethyl)propan-2-amine
IUPAC Name: cyclohexylsulfamic acid; N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)propan-2-amine
SYSTEMATIC NAME: cyclohexylsulfamic acid; N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)propan-2-amine
MOLECULAR FORMULA: C21H32N2O3S2
MOLECULAR WEIGHT: 424.62038
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC=CS2.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 26758-48-5
CAS Name: 3-(phenylmethyl)-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-benzyloxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-benzyloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-(phenylmethyl)-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C9H10ClN3O
MOLECULAR WEIGHT: 211.6482
SMILES: C1=CC=C(C=C1)C[N+]2=NOC(=C2)N.[Cl-]
Structure:
CAS RN: 3441-51-8
CAS Name: 3-(phenylmethyl)-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-benzyloxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-benzyloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-(phenylmethyl)-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C9H10ClN3O
MOLECULAR WEIGHT: 211.6482
SMILES: C1=CC=C(C=C1)C[N+]2=NOC(=C2)N.[Cl-]
Structure:
CAS RN: 3441-47-2
CAS Name: trimethyl-[[2-(4-methylsulfonylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]ammonium iodide
OPENEYE Name: trimethyl-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]ammonium iodide
IUPAC Name: trimethyl-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium iodide
MOLECULAR FORMULA: C18H22IN3O2S
MOLECULAR WEIGHT: 471.35565
SMILES: C[N+](C)(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C.[I-]
Structure:
CAS RN: 3432-65-3
CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; morpholine
OPENEYE Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; morpholine
IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; morpholine
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; morpholine
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C1COCCN1.C1=C(NC(=O)NC1=O)C(=O)O
Structure:
CAS RN: 3428-91-9
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-6-chloro-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-6-chloro-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-6-chloro-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-6-chloranyl-17-ethyl-10,13-dimethyl-3-oxidanyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C23H33ClO2
MOLECULAR WEIGHT: 376.95992
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)C(=O)C
Structure:
CAS RN: 3415-62-1
CAS Name: methanesulfonic acid 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl ester hydrochloride
OPENEYE Name: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C9H22ClNO6S2
MOLECULAR WEIGHT: 339.85708
SMILES: CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.Cl
Structure:
CAS RN: 13098-28-7
CAS Name: methanesulfonic acid 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl ester hydrochloride
OPENEYE Name: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C9H22ClNO6S2
MOLECULAR WEIGHT: 339.85708
SMILES: CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.Cl
Structure:
CAS RN: 3415-60-9
CAS Name: methanesulfonic acid 3-[N-(3-methylsulfonyloxypropyl)anilino]propyl ester hydrochloride
OPENEYE Name: 3-[N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[3-methylsulfonyloxypropyl(phenyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C14H24ClNO6S2
MOLECULAR WEIGHT: 401.92646
SMILES: CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)C1=CC=CC=C1.Cl
Structure:
CAS RN: 3415-57-4
CAS Name: methanesulfonic acid 3-[ethyl(3-methylsulfonyloxypropyl)amino]propyl ester hydrochloride
OPENEYE Name: 3-[ethyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[ethyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[ethyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C10H24ClNO6S2
MOLECULAR WEIGHT: 353.88366
SMILES: CCN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.Cl
Structure:
CAS RN: 3415-40-5
CAS Name: 3-[[5-chloro-1-(phenylmethyl)-3-indazolyl]oxy]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-(1-benzyl-5-chloro-indazol-3-yl)oxy-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-(1-benzyl-5-chloroindazol-3-yl)oxy-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[5-chloranyl-1-(phenylmethyl)indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H23Cl2N3O
MOLECULAR WEIGHT: 380.31142
SMILES: CN(C)CCCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3.Cl
Structure:
CAS RN: 3415-37-0
CAS Name: 3-[[4-chloro-1-(phenylmethyl)-3-indazolyl]oxy]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-(1-benzyl-4-chloro-indazol-3-yl)oxy-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-(1-benzyl-4-chloroindazol-3-yl)oxy-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[4-chloranyl-1-(phenylmethyl)indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H23Cl2N3O
MOLECULAR WEIGHT: 380.31142
SMILES: CN(C)CCCOC1=NN(C2=C1C(=CC=C2)Cl)CC3=CC=CC=C3.Cl
Structure:
CAS RN: 3415-22-3
CAS Name: 6-methoxy-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
OPENEYE Name: 6-methoxy-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
IUPAC Name: 6-methoxy-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SYSTEMATIC NAME: 6-methoxy-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
MOLECULAR FORMULA: C14H13N3O3S
MOLECULAR WEIGHT: 303.33632
SMILES: COC1=NN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)C
Structure:
CAS RN: 3415-21-2
CAS Name: 6-chloro-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
OPENEYE Name: 6-chloro-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
IUPAC Name: 6-chloro-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
SYSTEMATIC NAME: 6-chloranyl-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
MOLECULAR FORMULA: C13H10ClN3O2S
MOLECULAR WEIGHT: 307.7554
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=N2)C=CC(=N3)Cl
Structure:
CAS RN: 147317-97-3
CAS Name: N-hexadecyl-N-hydroxynitrous amide
OPENEYE Name: N-hexadecyl-N-hydroxy-nitrous amide
IUPAC Name: N-hexadecyl-N-hydroxynitrous amide
SYSTEMATIC NAME: N-hexadecyl-N-oxidanyl-nitrous amide
MOLECULAR FORMULA: C16H34N2O2
MOLECULAR WEIGHT: 286.45336
SMILES: CCCCCCCCCCCCCCCCN(N=O)O
Structure:
CAS RN: 147317-96-2
CAS Name: N-hydroxy-N-(14-methylpentadecyl)nitrous amide
OPENEYE Name: N-hydroxy-N-(14-methylpentadecyl)nitrous amide
IUPAC Name: N-hydroxy-N-(14-methylpentadecyl)nitrous amide
SYSTEMATIC NAME: N-(14-methylpentadecyl)-N-oxidanyl-nitrous amide
MOLECULAR FORMULA: C16H34N2O2
MOLECULAR WEIGHT: 286.45336
SMILES: CC(C)CCCCCCCCCCCCCN(N=O)O
Structure:
CAS RN: 147317-95-1
CAS Name: N-hydroxy-N-(12-methyltridecyl)nitrous amide
OPENEYE Name: N-hydroxy-N-(12-methyltridecyl)nitrous amide
IUPAC Name: N-hydroxy-N-(12-methyltridecyl)nitrous amide
SYSTEMATIC NAME: N-(12-methyltridecyl)-N-oxidanyl-nitrous amide
MOLECULAR FORMULA: C14H30N2O2
MOLECULAR WEIGHT: 258.4002
SMILES: CC(C)CCCCCCCCCCCN(N=O)O
Structure:
CAS RN: 30531-86-3
CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (2-amino-2-oxoethyl) ester
OPENEYE Name: (2-amino-2-oxo-ethyl) 2-[3-(trifluoromethyl)anilino]benzoate
IUPAC Name: (2-amino-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-ethyl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
MOLECULAR FORMULA: C16H13F3N2O3
MOLECULAR WEIGHT: 338.28123
SMILES: C1=CC=C(C(=C1)C(=O)OCC(=O)N)NC2=CC=CC(=C2)C(F)(F)F
Structure:
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