CAS RN: 6525-22-0
CAS Name: 5-acetamido-N,N-diethyl-2-prop-2-enoxybenzamide
OPENEYE Name: 5-acetamido-2-allyloxy-N,N-diethyl-benzamide
IUPAC Name: 5-acetamido-N,N-diethyl-2-prop-2-enoxybenzamide
SYSTEMATIC NAME: 5-acetamido-N,N-diethyl-2-prop-2-enoxy-benzamide
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C)OCC=C
Structure:
CAS RN: 6520-75-8
CAS Name: N-[(2,3-dihydro-1H-inden-1-ylamino)-oxomethyl]-2-(dimethylamino)propanamide; 2,4,6-trinitrophenol
OPENEYE Name: 2-(dimethylamino)-N-(indan-1-ylcarbamoyl)propanamide; picric acid
IUPAC Name: N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-2-(dimethylamino)propanamide; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-2-(dimethylamino)propanamide; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C21H24N6O9
MOLECULAR WEIGHT: 504.45006
SMILES: CC(C(=O)NC(=O)NC1CCC2=CC=CC=C12)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6511-82-6
CAS Name: 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidinyl]-2-oxo-1-benzimidazolyl]propanenitrile hydrochloride
OPENEYE Name: 3-[3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidyl]-2-oxo-benzimidazol-1-yl]propanenitrile hydrochloride
IUPAC Name: 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile hydrochloride
SYSTEMATIC NAME: 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]propanenitrile hydrochloride
MOLECULAR FORMULA: C23H26Cl2N4O
MOLECULAR WEIGHT: 445.38474
SMILES: CC(C1=CC=C(C=C1)Cl)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCC#N.Cl
Structure:
CAS RN: 6507-92-2
CAS Name: 4-benzamido-5-oxo-5-(1-pyrrolidinyl)pentanoic acid
OPENEYE Name: 4-benzamido-5-oxo-5-pyrrolidin-1-yl-pentanoic acid
IUPAC Name: 4-benzamido-5-oxo-5-pyrrolidin-1-ylpentanoic acid
SYSTEMATIC NAME: 4-benzamido-5-oxidanylidene-5-pyrrolidin-1-yl-pentanoic acid
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: C1CCN(C1)C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6507-73-9
CAS Name: N-(3-pyridinyl)carbamic acid 3-pyridinylmethyl ester
OPENEYE Name: 3-pyridylmethyl N-(3-pyridyl)carbamate
IUPAC Name: pyridin-3-ylmethyl N-pyridin-3-ylcarbamate
SYSTEMATIC NAME: pyridin-3-ylmethyl N-pyridin-3-ylcarbamate
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: C1=CC(=CN=C1)COC(=O)NC2=CN=CC=C2
Structure:
CAS RN: 6493-69-2
CAS Name: 2-(carboxymethyl)-2-hydroxybutanedioate; tin(2+)
OPENEYE Name: stannous 2-(carboxymethyl)-2-hydroxy-butanedioate
IUPAC Name: 2-(carboxymethyl)-2-hydroxybutanedioate; tin(2+)
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethyl)-2-oxidanyl-butanedioate; tin(2+)
MOLECULAR FORMULA: C6H6O7Sn
MOLECULAR WEIGHT: 308.81764
SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[Sn+2]
Structure:
CAS RN: 6482-10-6
CAS Name: 5-(dimethylamino)-2,2-di(propan-2-yl)pentanamide
OPENEYE Name: 5-(dimethylamino)-2,2-diisopropyl-pentanamide
IUPAC Name: 5-(dimethylamino)-2,2-di(propan-2-yl)pentanamide
SYSTEMATIC NAME: 5-(dimethylamino)-2,2-di(propan-2-yl)pentanamide
MOLECULAR FORMULA: C13H28N2O
MOLECULAR WEIGHT: 228.37422
SMILES: CC(C)C(CCCN(C)C)(C(C)C)C(=O)N
Structure:
CAS RN: 6475-43-0
CAS Name: 5-bromo-5-nitro-3-(phenylmethyl)-1,3-oxazinane
OPENEYE Name: 3-benzyl-5-bromo-5-nitro-1,3-oxazinane
IUPAC Name: 3-benzyl-5-bromo-5-nitro-1,3-oxazinane
SYSTEMATIC NAME: 5-bromanyl-5-nitro-3-(phenylmethyl)-1,3-oxazinane
MOLECULAR FORMULA: C11H13BrN2O3
MOLECULAR WEIGHT: 301.13652
SMILES: C1C(COCN1CC2=CC=CC=C2)([N+](=O)[O-])Br
Structure:
CAS RN: 6475-07-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22N2O
MOLECULAR WEIGHT: 246.34798
SMILES: C1C[C@H]2[C@@H]3CCCN4[C@@H]3C(=CN2C(=O)C1)CCC4
Structure:
CAS RN: 3570-07-8
CAS Name: N,N,2,2,3-pentamethyl-3-bicyclo[2.2.1]heptanamine
OPENEYE Name: N,N,2,3,3-pentamethylnorbornan-2-amine
IUPAC Name: N,N,2,2,3-pentamethylbicyclo[2.2.1]heptan-3-amine
SYSTEMATIC NAME: N,N,2,2,3-pentamethylbicyclo[2.2.1]heptan-3-amine
MOLECULAR FORMULA: C12H23N
MOLECULAR WEIGHT: 181.31772
SMILES: CC1(C2CCC(C2)C1(C)N(C)C)C
Structure:
CAS RN: 6472-63-5
CAS Name: N,N,2,2,3-pentamethyl-3-bicyclo[2.2.1]heptanamine hydrobromide
OPENEYE Name: N,N,2,3,3-pentamethylnorbornan-2-amine hydrobromide
IUPAC Name: N,N,2,2,3-pentamethylbicyclo[2.2.1]heptan-3-amine hydrobromide
SYSTEMATIC NAME: N,N,2,2,3-pentamethylbicyclo[2.2.1]heptan-3-amine hydrobromide
MOLECULAR FORMULA: C12H24BrN
MOLECULAR WEIGHT: 262.22966
SMILES: CC1(C2CCC(C2)C1(C)N(C)C)C.Br
Structure:
CAS RN: 6466-31-5
CAS Name: 8-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
OPENEYE Name: 8-[5-(1,3-dimethyl-6-oxo-2-thioxo-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-thioxo-7H-purin-6-one
IUPAC Name: 8-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
SYSTEMATIC NAME: 8-[5-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
MOLECULAR FORMULA: C19H24N8O2S2
MOLECULAR WEIGHT: 460.57626
SMILES: CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C
Structure:
CAS RN: 6466-30-4
CAS Name: 8-[4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)butyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
OPENEYE Name: 8-[4-(1,3-dimethyl-6-oxo-2-thioxo-7H-purin-8-yl)butyl]-1,3-dimethyl-2-thioxo-7H-purin-6-one
IUPAC Name: 8-[4-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)butyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
SYSTEMATIC NAME: 8-[4-(1,3-dimethyl-6-oxidanylidene-2-sulfanylidene-7H-purin-8-yl)butyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
MOLECULAR FORMULA: C18H22N8O2S2
MOLECULAR WEIGHT: 446.54968
SMILES: CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C
Structure:
CAS RN: 6466-10-0
CAS Name: 8-(decylthio)-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
OPENEYE Name: 8-decylsulfanyl-1,3-dimethyl-2-thioxo-7H-purin-6-one
IUPAC Name: 8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
SYSTEMATIC NAME: 8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
MOLECULAR FORMULA: C17H28N4OS2
MOLECULAR WEIGHT: 368.56042
SMILES: CCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C
Structure:
CAS RN: 6461-02-5
CAS Name: 3-benzamido-4-oxo-4-[(phenylmethyl)amino]butanoic acid
OPENEYE Name: 3-benzamido-4-(benzylamino)-4-oxo-butanoic acid
IUPAC Name: 3-benzamido-4-(benzylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 3-benzamido-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid
MOLECULAR FORMULA: C18H18N2O4
MOLECULAR WEIGHT: 326.34652
SMILES: C1=CC=C(C=C1)CNC(=O)C(CC(=O)O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6460-95-3
CAS Name: (2S)-2-benzamido-5-oxo-5-phenylmethoxypentanoic acid
OPENEYE Name: (2S)-2-benzamido-5-benzyloxy-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-benzamido-5-oxo-5-phenylmethoxypentanoic acid
SYSTEMATIC NAME: (2S)-2-benzamido-5-oxidanylidene-5-phenylmethoxy-pentanoic acid
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6460-94-2
CAS Name: (4S)-4-benzamido-5-oxo-5-phenylmethoxypentanoic acid
OPENEYE Name: (4S)-4-benzamido-5-benzyloxy-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-benzamido-5-oxo-5-phenylmethoxypentanoic acid
SYSTEMATIC NAME: (4S)-4-benzamido-5-oxidanylidene-5-phenylmethoxy-pentanoic acid
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6460-80-6
CAS Name: 5-oxo-4-[(1-oxo-2-phenylethyl)amino]-5-[(phenylmethyl)amino]pentanoic acid
OPENEYE Name: 5-(benzylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoic acid
IUPAC Name: 5-(benzylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-4-(2-phenylethanoylamino)-5-[(phenylmethyl)amino]pentanoic acid
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: C1=CC=C(C=C1)CC(=O)NC(CCC(=O)O)C(=O)NCC2=CC=CC=C2
Structure:
CAS RN: 6460-79-3
CAS Name: 3-benzamido-4-(diethylamino)-4-oxobutanoic acid
OPENEYE Name: 3-benzamido-4-(diethylamino)-4-oxo-butanoic acid
IUPAC Name: 3-benzamido-4-(diethylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 3-benzamido-4-(diethylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CCN(CC)C(=O)C(CC(=O)O)NC(=O)C1=CC=CC=C1
Structure:
CAS RN: 6460-75-9
CAS Name: 4-benzamido-5-(4-morpholinyl)-5-oxopentanoic acid
OPENEYE Name: 4-benzamido-5-morpholino-5-oxo-pentanoic acid
IUPAC Name: 4-benzamido-5-morpholin-4-yl-5-oxopentanoic acid
SYSTEMATIC NAME: 4-benzamido-5-morpholin-4-yl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: C1COCCN1C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6454-66-6
CAS Name: 4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid
OPENEYE Name: 4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
IUPAC Name: 4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C12H8F3N3O2
MOLECULAR WEIGHT: 283.20603
SMILES: C1=CC(=CC(=C1)NC2=NC=NC=C2C(=O)O)C(F)(F)F
Structure:
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