CAS RN: 16527-53-0
CAS Name: 3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol hydrochloride
OPENEYE Name: 3-[3-(dimethylamino)-1,1-dimethyl-propyl]phenol hydrochloride
IUPAC Name: 3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol hydrochloride
SYSTEMATIC NAME: 3-[4-(dimethylamino)-2-methyl-butan-2-yl]phenol hydrochloride
MOLECULAR FORMULA: C13H22ClNO
MOLECULAR WEIGHT: 243.77288
SMILES: CC(C)(CCN(C)C)C1=CC(=CC=C1)O.Cl
Structure:
CAS RN: 16517-53-6
CAS Name: 3-hydroxypropylurea
OPENEYE Name: 3-hydroxypropylurea
IUPAC Name: 3-hydroxypropylurea
SYSTEMATIC NAME: 1-(3-oxidanylpropyl)urea
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: C(CNC(=O)N)CO
Structure:
CAS RN: 16499-75-5
CAS Name: 4-(diethoxyphosphorylthio)-1,1,2-trifluoro-1-butene
OPENEYE Name: 4-diethoxyphosphorylsulfanyl-1,1,2-trifluoro-but-1-ene
IUPAC Name: 4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene
SYSTEMATIC NAME: 4-diethoxyphosphorylsulfanyl-1,1,2-tris(fluoranyl)but-1-ene
MOLECULAR FORMULA: C8H14F3O3PS
MOLECULAR WEIGHT: 278.228931
SMILES: CCOP(=O)(OCC)SCCC(=C(F)F)F
Structure:
CAS RN: 16488-05-4
CAS Name: 3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-propanone
OPENEYE Name: 3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
IUPAC Name: 3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
SYSTEMATIC NAME: 3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
Structure:
CAS RN: 16488-04-3
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)-1-propanone
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)propan-1-one
IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)propan-1-one
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)propan-1-one
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
Structure:
CAS RN: 16465-97-7
CAS Name: acetic acid (6-oxo-2-phenyl-1,3-thiazin-4-yl) ester
OPENEYE Name: (6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate
IUPAC Name: (6-oxo-2-phenyl-1,3-thiazin-4-yl) acetate
SYSTEMATIC NAME: (6-oxidanylidene-2-phenyl-1,3-thiazin-4-yl) ethanoate
MOLECULAR FORMULA: C12H9NO3S
MOLECULAR WEIGHT: 247.26976
SMILES: CC(=O)OC1=CC(=O)SC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 16464-64-5
CAS Name: carbamimidothioic acid [2-[(carbamimidoylthio)methyl]phenyl]methyl ester dihydrobromide
OPENEYE Name: 2-[[2-(carbamimidoylsulfanylmethyl)phenyl]methyl]isothiourea dihydrobromide
IUPAC Name: [2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate dihydrobromide
SYSTEMATIC NAME: [2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate dihydrobromide
MOLECULAR FORMULA: C10H16Br2N4S2
MOLECULAR WEIGHT: 416.19884
SMILES: C1=CC=C(C(=C1)CSC(=N)N)CSC(=N)N.Br.Br
Structure:
CAS RN: 16462-86-5
CAS Name: phosphoric acid (2-chlorophenyl) diethyl ester
OPENEYE Name: (2-chlorophenyl) diethyl phosphate
IUPAC Name: (2-chlorophenyl) diethyl phosphate
SYSTEMATIC NAME: (2-chlorophenyl) diethyl phosphate
MOLECULAR FORMULA: C10H14ClO4P
MOLECULAR WEIGHT: 264.642521
SMILES: CCOP(=O)(OCC)OC1=CC=CC=C1Cl
Structure:
CAS RN: 16454-60-7
CAS Name: neodymium(3+) trinitrate hexahydrate
OPENEYE Name: neodymium(3+) trinitrate hexahydrate
IUPAC Name: neodymium(3+) trinitrate hexahydrate
SYSTEMATIC NAME: neodymium(3+) trinitrate hexahydrate
MOLECULAR FORMULA: H12N3NdO15
MOLECULAR WEIGHT: 438.34638
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Nd+3]
Structure:
CAS RN: 16454-53-8
CAS Name: [5-[bis(2-chloroethyl)amino]-2-methylphenyl]-(4-morpholinyl)methanone
OPENEYE Name: [5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-morpholino-methanone
IUPAC Name: [5-[bis(2-chloroethyl)amino]-2-methylphenyl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C16H22Cl2N2O2
MOLECULAR WEIGHT: 345.26408
SMILES: CC1=C(C=C(C=C1)N(CCCl)CCCl)C(=O)N2CCOCC2
Structure:
CAS RN: 16428-05-0
CAS Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)cyclopropanamine
OPENEYE Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)cyclopropanamine
IUPAC Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)cyclopropanamine
SYSTEMATIC NAME: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)cyclopropanamine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: C1CC1NCC2CC3CC2C=C3
Structure:
CAS RN: 16421-72-0
CAS Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1-phenylethyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1-phenyl-ethyl]phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1-phenylethyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1-phenyl-ethyl]phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C33H41NO9
MOLECULAR WEIGHT: 595.67994
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 16417-83-7
CAS Name: butylphosphonic acid; carbamimidothioic acid butyl ester
OPENEYE Name: 2-butylisothiourea; butylphosphonic acid
IUPAC Name: butyl carbamimidothioate; butylphosphonic acid
SYSTEMATIC NAME: butyl carbamimidothioate; butylphosphonic acid
MOLECULAR FORMULA: C9H23N2O3PS
MOLECULAR WEIGHT: 270.329281
SMILES: CCCCP(=O)(O)O.CCCCSC(=N)N
Structure:
CAS RN: 16417-75-7
CAS Name: 2-(diethylamino)-N-(2-methyl-1-naphthalenyl)acetamide
OPENEYE Name: 2-(diethylamino)-N-(2-methyl-1-naphthyl)acetamide
IUPAC Name: 2-(diethylamino)-N-(2-methylnaphthalen-1-yl)acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-(2-methylnaphthalen-1-yl)ethanamide
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CCN(CC)CC(=O)NC1=C(C=CC2=CC=CC=C21)C
Structure:
CAS RN: 16400-83-2
CAS Name: carbamimidothioic acid propyl ester; propylphosphonic acid
OPENEYE Name: 2-propylisothiourea; propylphosphonic acid
IUPAC Name: propyl carbamimidothioate; propylphosphonic acid
SYSTEMATIC NAME: propyl carbamimidothioate; propylphosphonic acid
MOLECULAR FORMULA: C7H19N2O3PS
MOLECULAR WEIGHT: 242.276121
SMILES: CCCP(=O)(O)O.CCCSC(=N)N
Structure:
CAS RN: 6779-09-5
CAS Name: ethylphosphonic acid
OPENEYE Name: ethylphosphonic acid
IUPAC Name: ethylphosphonic acid
SYSTEMATIC NAME: ethylphosphonic acid
MOLECULAR FORMULA: C2H7O3P
MOLECULAR WEIGHT: 110.048941
SMILES: CCP(=O)(O)O
Structure:
CAS RN: 16400-82-1
CAS Name: carbamimidothioic acid ethyl ester; ethylphosphonic acid
OPENEYE Name: 2-ethylisothiourea; ethylphosphonic acid
IUPAC Name: ethyl carbamimidothioate; ethylphosphonic acid
SYSTEMATIC NAME: ethyl carbamimidothioate; ethylphosphonic acid
MOLECULAR FORMULA: C5H15N2O3PS
MOLECULAR WEIGHT: 214.222961
SMILES: CCP(=O)(O)O.CCSC(=N)N
Structure:
CAS RN: 16395-03-2
CAS Name: 4-[2-[2-(phenylmethyl)-3H-inden-1-yl]ethyl]morpholine hydrochloride
OPENEYE Name: 4-[2-(2-benzyl-3H-inden-1-yl)ethyl]morpholine hydrochloride
IUPAC Name: 4-[2-(2-benzyl-3H-inden-1-yl)ethyl]morpholine hydrochloride
SYSTEMATIC NAME: 4-[2-[2-(phenylmethyl)-3H-inden-1-yl]ethyl]morpholine hydrochloride
MOLECULAR FORMULA: C22H26ClNO
MOLECULAR WEIGHT: 355.90094
SMILES: C1COCCN1CCC2=C(CC3=CC=CC=C32)CC4=CC=CC=C4.Cl
Structure:
CAS RN: 16386-99-5
CAS Name: 2,2,7,7-tetramethyloctanedioic acid
OPENEYE Name: 2,2,7,7-tetramethyloctanedioic acid
IUPAC Name: 2,2,7,7-tetramethyloctanedioic acid
SYSTEMATIC NAME: 2,2,7,7-tetramethyloctanedioic acid
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CC(C)(CCCCC(C)(C)C(=O)O)C(=O)O
Structure:
CAS RN: 16386-43-9
CAS Name: 5-[2-(2-butoxyethoxy)ethoxy]-1,3-benzodioxole
OPENEYE Name: 5-[2-(2-butoxyethoxy)ethoxy]-1,3-benzodioxole
IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxy]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[2-(2-butoxyethoxy)ethoxy]-1,3-benzodioxole
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: CCCCOCCOCCOC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 16381-88-7
CAS Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methylcyclopropanamine
OPENEYE Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methyl-cyclopropanamine
IUPAC Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methylcyclopropanamine
SYSTEMATIC NAME: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methyl-cyclopropanamine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CN(CC1CC2CC1C=C2)C3CC3
Structure:
CAS RN: 16381-87-6
CAS Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methyl-2-propyn-1-amine
OPENEYE Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methyl-prop-2-yn-1-amine
IUPAC Name: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methylprop-2-yn-1-amine
SYSTEMATIC NAME: N-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N-methyl-prop-2-yn-1-amine
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CN(CC#C)CC1CC2CC1C=C2
Structure:
CAS RN: 16381-86-5
CAS Name: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclopropanamine
OPENEYE Name: N-methyl-N-(norbornan-2-ylmethyl)cyclopropanamine
IUPAC Name: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclopropanamine
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methyl-cyclopropanamine
MOLECULAR FORMULA: C12H21N
MOLECULAR WEIGHT: 179.30184
SMILES: CN(CC1CC2CCC1C2)C3CC3
Structure:
CAS RN: 16381-85-4
CAS Name: N-(3-bicyclo[2.2.1]heptanylmethyl)cyclopropanamine
OPENEYE Name: N-(norbornan-2-ylmethyl)cyclopropanamine
IUPAC Name: N-(3-bicyclo[2.2.1]heptanylmethyl)cyclopropanamine
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanylmethyl)cyclopropanamine
MOLECULAR FORMULA: C11H19N
MOLECULAR WEIGHT: 165.27526
SMILES: C1CC1NCC2CC3CCC2C3
Structure:
CAS RN: 16381-79-6
CAS Name: N-(1-cyclohex-3-enylmethyl)-N-methylcyclopropanamine
OPENEYE Name: N-(cyclohex-3-en-1-ylmethyl)-N-methyl-cyclopropanamine
IUPAC Name: N-(cyclohex-3-en-1-ylmethyl)-N-methylcyclopropanamine
SYSTEMATIC NAME: N-(cyclohex-3-en-1-ylmethyl)-N-methyl-cyclopropanamine
MOLECULAR FORMULA: C11H19N
MOLECULAR WEIGHT: 165.27526
SMILES: CN(CC1CCC=CC1)C2CC2
Structure:
CAS RN: 16377-01-8
CAS Name: (2S)-2,7-diamino-7-iminoheptanoic acid hydrochloride
OPENEYE Name: (2S)-2,7-diamino-7-imino-heptanoic acid hydrochloride
IUPAC Name: (2S)-2,7-diamino-7-iminoheptanoic acid hydrochloride
SYSTEMATIC NAME: (2S)-2,7-bis(azanyl)-7-azanylidene-heptanoic acid hydrochloride
MOLECULAR FORMULA: C7H16ClN3O2
MOLECULAR WEIGHT: 209.67384
SMILES: C(CCC(=N)N)C[C@@H](C(=O)O)N.Cl
Structure:
CAS RN: 16366-31-7
CAS Name: 2-[4-chloro-2-[(3,4-dichloroanilino)-oxomethyl]phenoxy]acetic acid
OPENEYE Name: 2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenoxy]acetic acid
IUPAC Name: 2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-chloranyl-2-[(3,4-dichlorophenyl)carbamoyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H10Cl3NO4
MOLECULAR WEIGHT: 374.6032
SMILES: C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)OCC(=O)O)Cl)Cl
Structure:
CAS RN: 16366-29-3
CAS Name: 2-[2-[(3,4-dichloroanilino)-oxomethyl]-4-methylphenoxy]acetic acid
OPENEYE Name: 2-[2-[(3,4-dichlorophenyl)carbamoyl]-4-methyl-phenoxy]acetic acid
IUPAC Name: 2-[2-[(3,4-dichlorophenyl)carbamoyl]-4-methylphenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(3,4-dichlorophenyl)carbamoyl]-4-methyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C16H13Cl2NO4
MOLECULAR WEIGHT: 354.18472
SMILES: CC1=CC(=C(C=C1)OCC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 16366-27-1
CAS Name: 2-[2-[(4-methoxyanilino)-oxomethyl]phenoxy]acetic acid
OPENEYE Name: 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetic acid
IUPAC Name: 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)O
Structure:
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