CAS RN: 60050-33-1
CAS Name: (1-amino-3-phenylpropan-2-yl)phosphonic acid
OPENEYE Name: [1-(aminomethyl)-2-phenyl-ethyl]phosphonic acid
IUPAC Name: (1-amino-3-phenylpropan-2-yl)phosphonic acid
SYSTEMATIC NAME: (1-azanyl-3-phenyl-propan-2-yl)phosphonic acid
MOLECULAR FORMULA: C9H14NO3P
MOLECULAR WEIGHT: 215.186121
SMILES: C1=CC=C(C=C1)CC(CN)P(=O)(O)O
Structure:
CAS RN: 6640-34-2
CAS Name: [1-amino-3-(2-methoxyphenyl)propan-2-yl]phosphonic acid
OPENEYE Name: [1-(aminomethyl)-2-(2-methoxyphenyl)ethyl]phosphonic acid
IUPAC Name: [1-amino-3-(2-methoxyphenyl)propan-2-yl]phosphonic acid
SYSTEMATIC NAME: [1-azanyl-3-(2-methoxyphenyl)propan-2-yl]phosphonic acid
MOLECULAR FORMULA: C10H16NO4P
MOLECULAR WEIGHT: 245.212101
SMILES: COC1=CC=CC=C1CC(CN)P(=O)(O)O
Structure:
CAS RN: 19492-11-6
CAS Name: 3-benzoyl-2-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-benzoyl-2-hydroxy-chromen-4-one
IUPAC Name: 3-benzoyl-2-hydroxychromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-(phenylcarbonyl)chromen-4-one
MOLECULAR FORMULA: C16H10O4
MOLECULAR WEIGHT: 266.2482
SMILES: C1=CC=C(C=C1)C(=O)C2=C(OC3=CC=CC=C3C2=O)O
Structure:
CAS RN: 2388-74-1
CAS Name: 1-methoxy-3-(methylthio)benzene
OPENEYE Name: 1-methoxy-3-methylsulfanyl-benzene
IUPAC Name: 1-methoxy-3-methylsulfanylbenzene
SYSTEMATIC NAME: 1-methoxy-3-methylsulfanyl-benzene
MOLECULAR FORMULA: C8H10OS
MOLECULAR WEIGHT: 154.2294
SMILES: COC1=CC(=CC=C1)SC
Structure:
CAS RN: 30058-43-6
CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: C1=NC2=C(C(=N1)N)N=CN2CC3C(C(C(O3)CO)O)O
Structure:
CAS RN: 5044-10-0
CAS Name: [4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
OPENEYE Name: [4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl dihydrogen phosphate
IUPAC Name: [4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C11H16N5O6P
MOLECULAR WEIGHT: 345.248401
SMILES: C1C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)COP(=O)(O)O
Structure:
CAS RN: 22179-49-3
CAS Name: 1-[3-[(dimethylamino)methyl]-2-phenyl-1-indolizinyl]-N,N-dimethylmethanamine
OPENEYE Name: 1-[3-[(dimethylamino)methyl]-2-phenyl-indolizin-1-yl]-N,N-dimethyl-methanamine
IUPAC Name: 1-[3-[(dimethylamino)methyl]-2-phenylindolizin-1-yl]-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-[3-[(dimethylamino)methyl]-2-phenyl-indolizin-1-yl]-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C20H25N3
MOLECULAR WEIGHT: 307.4326
SMILES: CN(C)CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)CN(C)C
Structure:
CAS RN: 17692-28-3
CAS Name: 1-(1,2-diphenyl-3-indolizinyl)-N,N-dimethylmethanamine
OPENEYE Name: 1-(1,2-diphenylindolizin-3-yl)-N,N-dimethyl-methanamine
IUPAC Name: 1-(1,2-diphenylindolizin-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(1,2-diphenylindolizin-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C23H22N2
MOLECULAR WEIGHT: 326.43418
SMILES: CN(C)CC1=C(C(=C2N1C=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 27433-55-2
CAS Name: 2-methyl-6H-oxazolo[5,4-d]pyrimidin-7-one
OPENEYE Name: 2-methyl-6H-oxazolo[5,4-d]pyrimidin-7-one
IUPAC Name: 2-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
SYSTEMATIC NAME: 2-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
MOLECULAR FORMULA: C6H5N3O2
MOLECULAR WEIGHT: 151.1228
SMILES: CC1=NC2=C(O1)N=CNC2=O
Structure:
CAS RN: 22307-44-4
CAS Name: 1-(4-bromobutoxy)-2-chloro-4-nitrobenzene
OPENEYE Name: 1-(4-bromobutoxy)-2-chloro-4-nitro-benzene
IUPAC Name: 1-(4-bromobutoxy)-2-chloro-4-nitrobenzene
SYSTEMATIC NAME: 1-(4-bromanylbutoxy)-2-chloranyl-4-nitro-benzene
MOLECULAR FORMULA: C10H11BrClNO3
MOLECULAR WEIGHT: 308.55624
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCCBr
Structure:
CAS RN: 4551-16-0
CAS Name: 5-amino-2-methylbenzenesulfonyl fluoride
OPENEYE Name: 5-amino-2-methyl-benzenesulfonyl fluoride
IUPAC Name: 5-amino-2-methylbenzenesulfonyl fluoride
SYSTEMATIC NAME: 5-azanyl-2-methyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C7H8FNO2S
MOLECULAR WEIGHT: 189.207323
SMILES: CC1=C(C=C(C=C1)N)S(=O)(=O)F
Structure:
CAS RN: 852-35-7
CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]ethanone
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]ethanone
IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C24H30N2O6
MOLECULAR WEIGHT: 442.5048
SMILES: COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 37934-89-7
CAS Name: 1-(6-benzo[f][1,3]benzodioxolyl)ethanone
OPENEYE Name: 1-benzo[f][1,3]benzodioxol-6-ylethanone
IUPAC Name: 1-benzo[f][1,3]benzodioxol-6-ylethanone
SYSTEMATIC NAME: 1-benzo[f][1,3]benzodioxol-6-ylethanone
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: CC(=O)C1=CC2=CC3=C(C=C2C=C1)OCO3
Structure:
CAS RN: 37934-66-0
CAS Name: 1-(6,7-dimethoxy-2-naphthalenyl)ethanone
OPENEYE Name: 1-(6,7-dimethoxy-2-naphthyl)ethanone
IUPAC Name: 1-(6,7-dimethoxynaphthalen-2-yl)ethanone
SYSTEMATIC NAME: 1-(6,7-dimethoxynaphthalen-2-yl)ethanone
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CC(=O)C1=CC2=CC(=C(C=C2C=C1)OC)OC
Structure:
CAS RN: 903-03-7
CAS Name: 1,3-dichloro-5-methyl-1,3-diazinane-2,4-dione
OPENEYE Name: 1,3-dichloro-5-methyl-hexahydropyrimidine-2,4-dione
IUPAC Name: 1,3-dichloro-5-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5-methyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C5H6Cl2N2O2
MOLECULAR WEIGHT: 197.01934
SMILES: CC1CN(C(=O)N(C1=O)Cl)Cl
Structure:
CAS RN: 90389-19-8
CAS Name: 1,3-dibromo-5-methyl-1,3-diazinane-2,4-dione
OPENEYE Name: 1,3-dibromo-5-methyl-hexahydropyrimidine-2,4-dione
IUPAC Name: 1,3-dibromo-5-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1,3-bis(bromanyl)-5-methyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C5H6Br2N2O2
MOLECULAR WEIGHT: 285.92134
SMILES: CC1CN(C(=O)N(C1=O)Br)Br
Structure:
CAS RN: 40838-54-8
CAS Name: 1-(1-benzothiophen-2-yl)piperidine
OPENEYE Name: 1-(benzothiophen-2-yl)piperidine
IUPAC Name: 1-(1-benzothiophen-2-yl)piperidine
SYSTEMATIC NAME: 1-(1-benzothiophen-2-yl)piperidine
MOLECULAR FORMULA: C13H15NS
MOLECULAR WEIGHT: 217.3299
SMILES: C1CCN(CC1)C2=CC3=CC=CC=C3S2
Structure:
CAS RN: 34123-50-7
CAS Name: 1-(1-benzothiophen-3-yl)piperidine
OPENEYE Name: 1-(benzothiophen-3-yl)piperidine
IUPAC Name: 1-(1-benzothiophen-3-yl)piperidine
SYSTEMATIC NAME: 1-(1-benzothiophen-3-yl)piperidine
MOLECULAR FORMULA: C13H15NS
MOLECULAR WEIGHT: 217.3299
SMILES: C1CCN(CC1)C2=CSC3=CC=CC=C32
Structure:
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