CAS RN: 58314-66-2
CAS Name: 2-sulfanylidene-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
OPENEYE Name: 2-thioxo-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
IUPAC Name: 2-sulfanylidene-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
SYSTEMATIC NAME: 2-sulfanylidene-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
MOLECULAR FORMULA: C6H4N4O3S
MOLECULAR WEIGHT: 212.18596
SMILES: C12=C(C(=O)NC(=O)N1)NC(=S)NC2=O
Structure:
CAS RN: 4852-37-3
CAS Name: 2-[4-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinyl]acetamide
OPENEYE Name: 2-[4-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-1-yl]acetamide
IUPAC Name: 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C16H19FN4O3
MOLECULAR WEIGHT: 334.345463
SMILES: C1CN(CCN1CC(=O)N)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 67746-43-4
CAS Name: N-bis(phenylmethoxy)phosphino-N-ethylethanamine
OPENEYE Name: N-dibenzyloxyphosphanyl-N-ethyl-ethanamine
IUPAC Name: N-bis(phenylmethoxy)phosphanyl-N-ethylethanamine
SYSTEMATIC NAME: N-bis(phenylmethoxy)phosphanyl-N-ethyl-ethanamine
MOLECULAR FORMULA: C18H24NO2P
MOLECULAR WEIGHT: 317.362421
SMILES: CCN(CC)P(OCC1=CC=CC=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 2078-01-5
CAS Name: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine
OPENEYE Name: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine
IUPAC Name: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine
SYSTEMATIC NAME: 3-nitro-5-(trifluoromethyl)benzene-1,2-diamine
MOLECULAR FORMULA: C7H6F3N3O2
MOLECULAR WEIGHT: 221.13665
SMILES: C1=C(C=C(C(=C1N)N)[N+](=O)[O-])C(F)(F)F
Structure:
CAS RN: 10315-03-4
CAS Name: 1-(4-phenyl-4-piperidin-1-iumyl)ethanone
OPENEYE Name: 1-(4-phenylpiperidin-1-ium-4-yl)ethanone
IUPAC Name: 1-(4-phenylpiperidin-1-ium-4-yl)ethanone
SYSTEMATIC NAME: 1-(4-phenylpiperidin-1-ium-4-yl)ethanone
MOLECULAR FORMULA: C13H18NO+
MOLECULAR WEIGHT: 204.28812
SMILES: CC(=O)C1(CC[NH2+]CC1)C2=CC=CC=C2
Structure:
CAS RN: 315702-87-5
CAS Name: 3-[[4-(2-pyridinyl)-2-thiazolyl]amino]benzoate
OPENEYE Name: 3-[[4-(2-pyridyl)thiazol-2-yl]amino]benzoate
IUPAC Name: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoate
SYSTEMATIC NAME: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoate
MOLECULAR FORMULA: C15H10N3O2S-
MOLECULAR WEIGHT: 296.3238
SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)[O-]
Structure:
CAS RN: 97963-62-7
CAS Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 5-[bis(fluoranyl)methoxy]-1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C8H6F2N2OS
MOLECULAR WEIGHT: 216.207846
SMILES: C1=CC2=C(C=C1OC(F)F)NC(=S)N2
Structure:
CAS RN: 5769-44-8
CAS Name: 2-[3-ethoxy-4-[(5-methoxycarbonyl-2-furanyl)methoxy]phenyl]-4-thiazolidinecarboxylic acid
OPENEYE Name: 2-[3-ethoxy-4-[(5-methoxycarbonyl-2-furyl)methoxy]phenyl]thiazolidine-4-carboxylic acid
IUPAC Name: 2-[3-ethoxy-4-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 2-[3-ethoxy-4-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C19H21NO7S
MOLECULAR WEIGHT: 407.43754
SMILES: CCOC1=C(C=CC(=C1)C2NC(CS2)C(=O)O)OCC3=CC=C(O3)C(=O)OC
Structure:
CAS RN: 333-18-6
CAS Name: 2-aminoethylammonium
OPENEYE Name: 2-aminoethylammonium
IUPAC Name: 2-aminoethylazanium
SYSTEMATIC NAME: 2-azanylethylazanium
MOLECULAR FORMULA: C2H9N2+
MOLECULAR WEIGHT: 61.10626
SMILES: C(CN)[NH3+]
Structure:
CAS RN: 634-38-8
CAS Name: 2-methyl-4-quinolinecarboxylate
OPENEYE Name: 2-methylquinoline-4-carboxylate
IUPAC Name: 2-methylquinoline-4-carboxylate
SYSTEMATIC NAME: 2-methylquinoline-4-carboxylate
MOLECULAR FORMULA: C11H8NO2-
MOLECULAR WEIGHT: 186.18672
SMILES: CC1=NC2=CC=CC=C2C(=C1)C(=O)[O-]
Structure:
CAS RN: 343-67-9
CAS Name: 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 6-oxidanylidene-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H7F3N2O3
MOLECULAR WEIGHT: 236.14799
SMILES: CCOC(=O)C1=CN=C(NC1=O)C(F)(F)F
Structure:
CAS RN: 55611-39-7
CAS Name: N-prop-2-enylcyclopentanamine
OPENEYE Name: N-allylcyclopentanamine
IUPAC Name: N-prop-2-enylcyclopentanamine
SYSTEMATIC NAME: N-prop-2-enylcyclopentanamine
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: C=CCNC1CCCC1
Structure:
CAS RN: 89093-72-1
CAS Name: 6-methyl-1,2,4,5-tetrazinane-3-thione
OPENEYE Name: 6-methyl-1,2,4,5-tetrazinane-3-thione
IUPAC Name: 6-methyl-1,2,4,5-tetrazinane-3-thione
SYSTEMATIC NAME: 6-methyl-1,2,4,5-tetrazinane-3-thione
MOLECULAR FORMULA: C3H8N4S
MOLECULAR WEIGHT: 132.18742
SMILES: CC1NNC(=S)NN1
Structure:
CAS RN: 61343-82-6
CAS Name: 4-(2-phenylethoxy)benzaldehyde
OPENEYE Name: 4-(2-phenylethoxy)benzaldehyde
IUPAC Name: 4-(2-phenylethoxy)benzaldehyde
SYSTEMATIC NAME: 4-(2-phenylethoxy)benzaldehyde
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C=O
Structure:
CAS RN: 103914-52-9
CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylate
OPENEYE Name: 2-(4-bromophenyl)quinoline-4-carboxylate
IUPAC Name: 2-(4-bromophenyl)quinoline-4-carboxylate
SYSTEMATIC NAME: 2-(4-bromophenyl)quinoline-4-carboxylate
MOLECULAR FORMULA: C16H9BrNO2-
MOLECULAR WEIGHT: 327.15216
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)[O-]
Structure:
CAS RN: 21778-69-8
CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C13H17N3O5
MOLECULAR WEIGHT: 295.29118
SMILES: C1=CC(=CC=C1CC(C(=O)NCC(=O)NCC(=O)O)N)O
Structure:
CAS RN: 26533-32-4
CAS Name: 3-methyl-4-nonanol
OPENEYE Name: 3-methylnonan-4-ol
IUPAC Name: 3-methylnonan-4-ol
SYSTEMATIC NAME: 3-methylnonan-4-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCC(C(C)CC)O
Structure:
CAS RN: 27106-51-0
CAS Name: 1-(4-methylphenyl)sulfonylpiperazin-4-ium
OPENEYE Name: 1-(p-tolylsulfonyl)piperazin-4-ium
IUPAC Name: 1-(4-methylphenyl)sulfonylpiperazin-4-ium
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonylpiperazin-4-ium
MOLECULAR FORMULA: C11H17N2O2S+
MOLECULAR WEIGHT: 241.32988
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2
Structure:
CAS RN: 42235-39-2
CAS Name: eicosanedioic acid diethyl ester
OPENEYE Name: diethyl icosanedioate
IUPAC Name: diethyl icosanedioate
SYSTEMATIC NAME: diethyl icosanedioate
MOLECULAR FORMULA: C24H46O4
MOLECULAR WEIGHT: 398.61964
SMILES: CCOC(=O)CCCCCCCCCCCCCCCCCCC(=O)OCC
Structure:
CAS RN: 149518-50-3
CAS Name: 2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinyl]acetic acid
OPENEYE Name: 2-(1-tert-butoxycarbonyl-2-piperidyl)acetic acid
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethanoic acid
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CC(C)(C)OC(=O)N1CCCCC1CC(=O)O
Structure:
CAS RN: 64172-98-1
CAS Name: 4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid
OPENEYE Name: 4-benzyloxycarbonylpiperazine-2-carboxylic acid
IUPAC Name: 4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
SYSTEMATIC NAME: 4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: C1CN(CC(N1)C(=O)O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 101376-26-5
CAS Name: [4-(phenylmethyl)-3-morpholinyl]methanol
OPENEYE Name: (4-benzylmorpholin-3-yl)methanol
IUPAC Name: (4-benzylmorpholin-3-yl)methanol
SYSTEMATIC NAME: [4-(phenylmethyl)morpholin-3-yl]methanol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1COCC(N1CC2=CC=CC=C2)CO
Structure:
CAS RN: 110167-20-9
CAS Name: [4-(phenylmethyl)-3-morpholinyl]methanol
OPENEYE Name: (4-benzylmorpholin-3-yl)methanol
IUPAC Name: (4-benzylmorpholin-3-yl)methanol
SYSTEMATIC NAME: [4-(phenylmethyl)morpholin-3-yl]methanol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1COCC(N1CC2=CC=CC=C2)CO
Structure:
CAS RN: 59966-29-9
CAS Name: 2-amino-2-(3-pyridinyl)acetic acid
OPENEYE Name: 2-amino-2-(3-pyridyl)acetic acid
IUPAC Name: 2-amino-2-pyridin-3-ylacetic acid
SYSTEMATIC NAME: 2-azanyl-2-pyridin-3-yl-ethanoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=CN=C1)C(C(=O)O)N
Structure:
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