CAS RN: 55154-71-7
CAS Name: N-[2-[2-(diethylamino)ethylamino]-5-nitrophenyl]-2-(4-ethoxyphenyl)acetamide
OPENEYE Name: N-[2-[2-(diethylamino)ethylamino]-5-nitro-phenyl]-2-(4-ethoxyphenyl)acetamide
IUPAC Name: N-[2-[2-(diethylamino)ethylamino]-5-nitrophenyl]-2-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: N-[2-[2-(diethylamino)ethylamino]-5-nitro-phenyl]-2-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C22H30N4O4
MOLECULAR WEIGHT: 414.498
SMILES: CCN(CC)CCNC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)OCC
Structure:
CAS RN: 91790-00-0
CAS Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-4-nitrobenzenesulfonamide
OPENEYE Name: N-(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-4-nitro-benzenesulfonamide
IUPAC Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-4-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-4-nitro-benzenesulfonamide
MOLECULAR FORMULA: C10H9N5O5S2
MOLECULAR WEIGHT: 343.33896
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(NC(=S)NC2=O)N
Structure:
CAS RN: 18161-99-4
CAS Name: 1-methyl-3-[2-[3-[2-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-2,4-dioxo-1-pyrimidinyl]ethylideneamino]thiourea
OPENEYE Name: 1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazono)ethyl]-2,4-dioxo-pyrimidin-1-yl]ethylideneamino]thiourea
IUPAC Name: 1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[3-[2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea
MOLECULAR FORMULA: C12H18N8O2S2
MOLECULAR WEIGHT: 370.45372
SMILES: CNC(=S)NN=CCN1C=CC(=O)N(C1=O)CC=NNC(=S)NC
Structure:
CAS RN: 108129-35-7
CAS Name: 4-acetyl-2-amino-5-methyl-3-furancarbonitrile
OPENEYE Name: 4-acetyl-2-amino-5-methyl-furan-3-carbonitrile
IUPAC Name: 4-acetyl-2-amino-5-methylfuran-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-ethanoyl-5-methyl-furan-3-carbonitrile
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: CC1=C(C(=C(O1)N)C#N)C(=O)C
Structure:
CAS RN: 101360-17-2
CAS Name: 1-(dimethylamino)-3-[6-[[(2,2-dimethylhydrazinyl)-oxomethyl]amino]hexyl]urea
OPENEYE Name: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
IUPAC Name: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
SYSTEMATIC NAME: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
MOLECULAR FORMULA: C12H28N6O2
MOLECULAR WEIGHT: 288.38972
SMILES: CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C
Structure:
CAS RN: 69938-76-7
CAS Name: 1-(dimethylamino)-3-[6-[[(2,2-dimethylhydrazinyl)-oxomethyl]amino]hexyl]urea
OPENEYE Name: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
IUPAC Name: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
SYSTEMATIC NAME: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
MOLECULAR FORMULA: C12H28N6O2
MOLECULAR WEIGHT: 288.38972
SMILES: CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C
Structure:
CAS RN: 94037-51-1
CAS Name: 4-azido-N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzenesulfonamide
OPENEYE Name: 4-azido-N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzenesulfonamide
IUPAC Name: 4-azido-N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-azido-N-[2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C15H13N9O2S
MOLECULAR WEIGHT: 383.38782
SMILES: C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-]
Structure:
CAS RN: 5838-79-9
CAS Name: 4-ethoxy-3-nitro-N-[4-(1-oxopropylamino)phenyl]benzamide
OPENEYE Name: 4-ethoxy-3-nitro-N-[4-(propanoylamino)phenyl]benzamide
IUPAC Name: 4-ethoxy-3-nitro-N-[4-(propanoylamino)phenyl]benzamide
SYSTEMATIC NAME: 4-ethoxy-3-nitro-N-[4-(propanoylamino)phenyl]benzamide
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: CCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]
Structure:
CAS RN: 729-24-8
CAS Name: 2-amino-3-methyl-N-(2-naphthalenyl)butanamide
OPENEYE Name: 2-amino-3-methyl-N-(2-naphthyl)butanamide
IUPAC Name: 2-amino-3-methyl-N-naphthalen-2-ylbutanamide
SYSTEMATIC NAME: 2-azanyl-3-methyl-N-naphthalen-2-yl-butanamide
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CC(C)C(C(=O)NC1=CC2=CC=CC=C2C=C1)N
Structure:
CAS RN: 284493-67-0
CAS Name: 3-(3-chlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid
IUPAC Name: 3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: 3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H18ClNO4
MOLECULAR WEIGHT: 299.75002
SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 3275-78-3
CAS Name: 2-hydroxy-4-[[1-oxo-5-(6-sulfanylidene-3H-purin-9-yl)pentyl]amino]benzoic acid
OPENEYE Name: 2-hydroxy-4-[5-(6-thioxo-3H-purin-9-yl)pentanoylamino]benzoic acid
IUPAC Name: 2-hydroxy-4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
MOLECULAR FORMULA: C17H17N5O4S
MOLECULAR WEIGHT: 387.41298
SMILES: C1=CC(=C(C=C1NC(=O)CCCCN2C=NC3=C2NC=NC3=S)O)C(=O)O
Structure:
CAS RN: 28293-31-4
CAS Name: 2,5-diazido-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diazido-3,6-diphenyl-1,4-benzoquinone
IUPAC Name: 2,5-diazido-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-diazido-3,6-diphenyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H10N6O2
MOLECULAR WEIGHT: 342.311
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)N=[N+]=[N-])C3=CC=CC=C3)N=[N+]=[N-]
Structure:
CAS RN: 10380-28-6
CAS Name: copper; 8-quinolinol
OPENEYE Name: copper; quinolin-8-ol
IUPAC Name: copper; quinolin-8-ol
SYSTEMATIC NAME: copper; quinolin-8-ol
MOLECULAR FORMULA: C18H14CuN2O2
MOLECULAR WEIGHT: 353.86196
SMILES: C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu]
Structure:
CAS RN: 61720-77-2
CAS Name: 1-[2-furanyl(sulfanylidene)methyl]-3-(4-methylphenyl)sulfonylurea
OPENEYE Name: 1-(furan-2-carbothioyl)-3-(p-tolylsulfonyl)urea
IUPAC Name: 1-(furan-2-carbothioyl)-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-(furan-2-ylcarbothioyl)-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C13H12N2O4S2
MOLECULAR WEIGHT: 324.37538
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=S)C2=CC=CO2
Structure:
CAS RN: 6037-43-0
CAS Name: 1,1-bis(4-fluorophenyl)-2-butyne-1,4-diol
OPENEYE Name: 1,1-bis(4-fluorophenyl)but-2-yne-1,4-diol
IUPAC Name: 1,1-bis(4-fluorophenyl)but-2-yne-1,4-diol
SYSTEMATIC NAME: 1,1-bis(4-fluorophenyl)but-2-yne-1,4-diol
MOLECULAR FORMULA: C16H12F2O2
MOLECULAR WEIGHT: 274.262086
SMILES: C1=CC(=CC=C1C(C#CCO)(C2=CC=C(C=C2)F)O)F
Structure:
CAS RN: 78238-11-6
CAS Name: 3-acetamido-5-bromobenzoate
OPENEYE Name: 3-acetamido-5-bromo-benzoate
IUPAC Name: 3-acetamido-5-bromobenzoate
SYSTEMATIC NAME: 3-acetamido-5-bromanyl-benzoate
MOLECULAR FORMULA: C9H7BrNO3-
MOLECULAR WEIGHT: 257.06078
SMILES: CC(=O)NC1=CC(=CC(=C1)C(=O)[O-])Br
Structure:
CAS RN: 40400-15-5
CAS Name: 2-(2-iodophenyl)acetonitrile
OPENEYE Name: 2-(2-iodophenyl)acetonitrile
IUPAC Name: 2-(2-iodophenyl)acetonitrile
SYSTEMATIC NAME: 2-(2-iodanylphenyl)ethanenitrile
MOLECULAR FORMULA: C8H6IN
MOLECULAR WEIGHT: 243.04441
SMILES: C1=CC=C(C(=C1)CC#N)I
Structure:
CAS RN: 479-22-1
CAS Name: 2,5-dihydroxy-3,6-dinitrocyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dihydroxy-3,6-dinitro-1,4-benzoquinone
IUPAC Name: 2,5-dihydroxy-3,6-dinitrocyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-dinitro-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C6H2N2O8
MOLECULAR WEIGHT: 230.08868
SMILES: C1(=C(C(=O)C(=C(C1=O)O)[N+](=O)[O-])O)[N+](=O)[O-]
Structure:
CAS RN: 76614-83-0
CAS Name: 1-[4-(dimethylamino)phenyl]-3-[(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-3-[(3-methyl-4-phenyl-2-pyridyl)methyleneamino]thiourea
IUPAC Name: 1-[4-(dimethylamino)phenyl]-3-[(3-methyl-4-phenylpyridin-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-3-[(3-methyl-4-phenyl-pyridin-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C22H23N5S
MOLECULAR WEIGHT: 389.51652
SMILES: CC1=C(C=CN=C1C=NNC(=S)NC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3
Structure:
CAS RN: 51513-47-4
CAS Name: 2,4,6-trimethylbenzoic acid 9-anthracenylmethyl ester
OPENEYE Name: 9-anthrylmethyl 2,4,6-trimethylbenzoate
IUPAC Name: anthracen-9-ylmethyl 2,4,6-trimethylbenzoate
SYSTEMATIC NAME: anthracen-9-ylmethyl 2,4,6-trimethylbenzoate
MOLECULAR FORMULA: C25H22O2
MOLECULAR WEIGHT: 354.44098
SMILES: CC1=CC(=C(C(=C1)C)C(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42)C
Structure:
CAS RN: 20419-69-6
CAS Name: 2,6-diethoxy-7H-purine
OPENEYE Name: 2,6-diethoxy-7H-purine
IUPAC Name: 2,6-diethoxy-7H-purine
SYSTEMATIC NAME: 2,6-diethoxy-7H-purine
MOLECULAR FORMULA: C9H12N4O2
MOLECULAR WEIGHT: 208.21718
SMILES: CCOC1=NC(=NC2=C1NC=N2)OCC
Structure:
CAS RN: 1906-95-2
CAS Name: 2-(5-bromopentyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(5-bromopentyl)propanedioate
IUPAC Name: diethyl 2-(5-bromopentyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(5-bromanylpentyl)propanedioate
MOLECULAR FORMULA: C12H21BrO4
MOLECULAR WEIGHT: 309.19674
SMILES: CCOC(=O)C(CCCCCBr)C(=O)OCC
Structure:
CAS RN: 6965-00-0
CAS Name: 1,3-bis(pyridin-4-ylmethyl)thiourea
OPENEYE Name: 1,3-bis(4-pyridylmethyl)thiourea
IUPAC Name: 1,3-bis(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 1,3-bis(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: C1=CN=CC=C1CNC(=S)NCC2=CC=NC=C2
Structure:
CAS RN: 4755-50-4
CAS Name: 4-(dimethylamino)benzoyl chloride
OPENEYE Name: 4-(dimethylamino)benzoyl chloride
IUPAC Name: 4-(dimethylamino)benzoyl chloride
SYSTEMATIC NAME: 4-(dimethylamino)benzoyl chloride
MOLECULAR FORMULA: C9H10ClNO
MOLECULAR WEIGHT: 183.6348
SMILES: CN(C)C1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 2846-86-8
CAS Name: 3-hydroxy-6-(methylthio)purine
OPENEYE Name: 3-hydroxy-6-methylsulfanyl-purine
IUPAC Name: 3-hydroxy-6-methylsulfanylpurine
SYSTEMATIC NAME: 6-methylsulfanyl-3-oxidanyl-purine
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CSC1=C2C(=NC=N2)N(C=N1)O
Structure:
CAS RN: 601-84-3
CAS Name: 2,6-dibromobenzoic acid
OPENEYE Name: 2,6-dibromobenzoic acid
IUPAC Name: 2,6-dibromobenzoic acid
SYSTEMATIC NAME: 2,6-bis(bromanyl)benzoic acid
MOLECULAR FORMULA: C7H4Br2O2
MOLECULAR WEIGHT: 279.91346
SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)Br
Structure:
CAS RN: 6625-73-6
CAS Name: 1-octadecyl-3-phenylthiourea
OPENEYE Name: 1-octadecyl-3-phenyl-thiourea
IUPAC Name: 1-octadecyl-3-phenylthiourea
SYSTEMATIC NAME: 1-octadecyl-3-phenyl-thiourea
MOLECULAR FORMULA: C25H44N2S
MOLECULAR WEIGHT: 404.69526
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 86919-62-2
CAS Name: N-[1-(2-pyridinyl)butylideneamino]-1-azepanecarbothioamide
OPENEYE Name: N-[1-(2-pyridyl)butylideneamino]azepane-1-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
MOLECULAR FORMULA: C16H24N4S
MOLECULAR WEIGHT: 304.45356
SMILES: CCCC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2
Structure:
CAS RN: 86685-97-4
CAS Name: 3-(3-methylphenyl)-5-isoxazolamine
OPENEYE Name: 3-(m-tolyl)isoxazol-5-amine
IUPAC Name: 3-(3-methylphenyl)-1,2-oxazol-5-amine
SYSTEMATIC NAME: 3-(3-methylphenyl)-1,2-oxazol-5-amine
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=CC=CC(=C1)C2=NOC(=C2)N
Structure:
CAS RN: 59702-07-7
CAS Name: 1-methyl-2-piperazinone
OPENEYE Name: 1-methylpiperazin-2-one
IUPAC Name: 1-methylpiperazin-2-one
SYSTEMATIC NAME: 1-methylpiperazin-2-one
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CN1CCNCC1=O
Structure:
CAS RN: 35524-89-1
CAS Name: 1-methyl-3-(3-methylphenyl)thiourea
OPENEYE Name: 1-methyl-3-(m-tolyl)thiourea
IUPAC Name: 1-methyl-3-(3-methylphenyl)thiourea
SYSTEMATIC NAME: 1-methyl-3-(3-methylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=CC(=CC=C1)NC(=S)NC
Structure:
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