CAS RN: 1189919-71-8
CAS Name: 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one hydrochloride
OPENEYE Name: 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one hydrochloride
IUPAC Name: 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one hydrochloride
SYSTEMATIC NAME: 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(trideuteriomethyl)-3,4-dihydropyrido[4,3-b]indol-1-one hydrochloride
MOLECULAR FORMULA: C17H19ClN4O
MOLECULAR WEIGHT: 333.830445
SMILES: [2H]C([2H])([2H])N1C2=C(C3=CC=CC=C31)C(=O)N(CC2)CC4=C(NC=N4)C.Cl
CAS RN: 1173021-73-2
CAS Name: 4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
OPENEYE Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]amino]ethyl]phenol
IUPAC Name: 4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SYSTEMATIC NAME: 4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol
MOLECULAR FORMULA: C13H21NO3
MOLECULAR WEIGHT: 248.366196
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C=C1)O)CO)O
CAS RN: 93968-79-7
CAS Name: 2-hydroxy-5-[(2,2,2-trideuterio-1-oxoethyl)amino]benzoic acid
OPENEYE Name: 2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid
IUPAC Name: 2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-5-(2,2,2-trideuterioethanoylamino)benzoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 198.190545
SMILES: [2H]C([2H])([2H])C(=O)NC1=CC(=C(C=C1)O)C(=O)O
CAS RN: 1189904-01-5
CAS Name: 2,2,2-trideuterio-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
OPENEYE Name: 2,2,2-trideuterio-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC Name: 2,2,2-trideuterio-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2,2,2-trideuterio-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C4H6N4O3S2
MOLECULAR WEIGHT: 225.263925
SMILES: [2H]C([2H])([2H])C(=O)NC1=NN=C(S1)S(=O)(=O)N
CAS RN: 1146081-29-9
CAS Name: 4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester
OPENEYE Name: methyl 4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
IUPAC Name: methyl 4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
MOLECULAR FORMULA: C11H6F6N2O2
MOLECULAR WEIGHT: 312.167959
SMILES: COC(=O)C1=CC2=C(N1)N=C(C=C2C(F)(F)F)C(F)(F)F
CAS RN: 857892-87-6
CAS Name: 2-methylheptanoic acid (2-methyl-1-oxoheptyl) ester
OPENEYE Name: 2-methylheptanoyl 2-methylheptanoate
IUPAC Name: 2-methylheptanoyl 2-methylheptanoate
SYSTEMATIC NAME: 2-methylheptanoyl 2-methylheptanoate
MOLECULAR FORMULA: C16H30O3
MOLECULAR WEIGHT: 270.4076
SMILES: CCCCCC(C)C(=O)OC(=O)C(C)CCCCC
CAS RN: 40607-84-9
CAS Name: 2-methylhexanoic acid (2-methyl-1-oxohexyl) ester
OPENEYE Name: 2-methylhexanoyl 2-methylhexanoate
IUPAC Name: 2-methylhexanoyl 2-methylhexanoate
SYSTEMATIC NAME: 2-methylhexanoyl 2-methylhexanoate
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: CCCCC(C)C(=O)OC(=O)C(C)CCCC
CAS RN: 83594-04-1
CAS Name: 4-methylpentanoic acid (4-methyl-1-oxopentyl) ester
OPENEYE Name: 4-methylpentanoyl 4-methylpentanoate
IUPAC Name: 4-methylpentanoyl 4-methylpentanoate
SYSTEMATIC NAME: 4-methylpentanoyl 4-methylpentanoate
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: CC(C)CCC(=O)OC(=O)CCC(C)C
CAS RN: 18385-68-7
CAS Name: 5-methyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5-methylchroman-4-one
IUPAC Name: 5-methyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 5-methyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC1=C2C(=O)CCOC2=CC=C1
CAS RN: 948005-84-3
CAS Name: 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-amine
OPENEYE Name: 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-amine
IUPAC Name: 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SYSTEMATIC NAME: 5-(3-methoxyphenyl)-1,2,4-thiadiazol-3-amine
MOLECULAR FORMULA: C9H9N3OS
MOLECULAR WEIGHT: 207.25226
SMILES: COC1=CC=CC(=C1)C2=NC(=NS2)N
CAS RN: 1092352-66-3
CAS Name: 6-(phenylmethyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
OPENEYE Name: 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
IUPAC Name: 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-(phenylmethyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: C1C2=C(CN1CC3=CC=CC=C3)NC=NC2=O
CAS RN: 1002129-33-0
CAS Name: [6-(1-piperidinyl)-3-pyridinyl]boronic acid
OPENEYE Name: [6-(1-piperidyl)-3-pyridyl]boronic acid
IUPAC Name: (6-piperidin-1-ylpyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-piperidin-1-ylpyridin-3-yl)boronic acid
MOLECULAR FORMULA: C10H15BN2O2
MOLECULAR WEIGHT: 206.0493
SMILES: B(C1=CN=C(C=C1)N2CCCCC2)(O)O
CAS RN: 1008139-25-0
CAS Name: 4-isoxazolylboronic acid
OPENEYE Name: isoxazol-4-ylboronic acid
IUPAC Name: 1,2-oxazol-4-ylboronic acid
SYSTEMATIC NAME: 1,2-oxazol-4-ylboronic acid
MOLECULAR FORMULA: C3H4BNO3
MOLECULAR WEIGHT: 112.87976
SMILES: B(C1=CON=C1)(O)O
CAS RN: 127980-46-5
CAS Name: 5,6-dimethoxy-2-pyridinamine
OPENEYE Name: 5,6-dimethoxypyridin-2-amine
IUPAC Name: 5,6-dimethoxypyridin-2-amine
SYSTEMATIC NAME: 5,6-dimethoxypyridin-2-amine
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: COC1=C(N=C(C=C1)N)OC
CAS RN: 1072951-54-2
CAS Name: (2,6-dichloro-4-pyridinyl)boronic acid
OPENEYE Name: (2,6-dichloro-4-pyridyl)boronic acid
IUPAC Name: (2,6-dichloropyridin-4-yl)boronic acid
SYSTEMATIC NAME: [2,6-bis(chloranyl)pyridin-4-yl]boronic acid
MOLECULAR FORMULA: C5H4BCl2NO2
MOLECULAR WEIGHT: 191.80776
SMILES: B(C1=CC(=NC(=C1)Cl)Cl)(O)O
CAS RN: 308386-38-1
CAS Name: 4-(4-bromophenoxy)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-bromanylphenoxy)piperidine-1-carboxylate
MOLECULAR FORMULA: C16H22BrNO3
MOLECULAR WEIGHT: 356.25478
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)Br
CAS RN: 903899-13-8
CAS Name: (6-oxo-1H-pyridin-3-yl)boronic acid
OPENEYE Name: (6-oxo-1H-pyridin-3-yl)boronic acid
IUPAC Name: (6-oxo-1H-pyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-oxidanylidene-1H-pyridin-3-yl)boronic acid
MOLECULAR FORMULA: C5H6BNO3
MOLECULAR WEIGHT: 138.91704
SMILES: B(C1=CNC(=O)C=C1)(O)O
CAS RN: 1020253-21-7
CAS Name: 6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine
OPENEYE Name: 6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name: 6-chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SYSTEMATIC NAME: 6-chloranyl-8-fluoranyl-[1,2,4]triazolo[4,3-a]pyridine
MOLECULAR FORMULA: C6H3ClFN3
MOLECULAR WEIGHT: 171.559523
SMILES: C1=C(C2=NN=CN2C=C1Cl)F
CAS RN: 479691-42-4
CAS Name: 4-(4-chloro-2-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-chloropyrimidin-2-yl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-chloropyrimidin-2-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-chloranylpyrimidin-2-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C13H19ClN4O2
MOLECULAR WEIGHT: 298.76856
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=N2)Cl
CAS RN: 36635-66-2
CAS Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-4-methylbenzene
OPENEYE Name: 1-[isocyano(p-tolylsulfonyl)methyl]-4-methyl-benzene
IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfonylmethyl]-4-methylbenzene
SYSTEMATIC NAME: 1-[isocyano-(4-methylphenyl)sulfonyl-methyl]-4-methyl-benzene
MOLECULAR FORMULA: C16H15NO2S
MOLECULAR WEIGHT: 285.3608
SMILES: CC1=CC=C(C=C1)C([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C
CAS RN: 194473-04-6
CAS Name: 6-fluoro-2-methyl-1H-quinazolin-4-one
OPENEYE Name: 6-fluoro-2-methyl-1H-quinazolin-4-one
IUPAC Name: 6-fluoro-2-methyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-fluoranyl-2-methyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C9H7FN2O
MOLECULAR WEIGHT: 178.163083
SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)F
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