CAS RN: 75319-02-7
CAS Name: 4-chloro-2-methylbenzohydrazide
OPENEYE Name: 4-chloro-2-methyl-benzohydrazide
IUPAC Name: 4-chloro-2-methylbenzohydrazide
SYSTEMATIC NAME: 4-chloranyl-2-methyl-benzohydrazide
MOLECULAR FORMULA: C8H9ClN2O
MOLECULAR WEIGHT: 184.62286
SMILES: CC1=C(C=CC(=C1)Cl)C(=O)NN
Structure:
CAS RN: 7473-56-5
CAS Name: N-[amino-[sulfanylidene-(9H-xanthen-9-ylamino)methyl]iminomethyl]benzamide
OPENEYE Name: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide
IUPAC Name: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide
SYSTEMATIC NAME: N-[N'-(9H-xanthen-9-ylcarbamothioyl)carbamimidoyl]benzamide
MOLECULAR FORMULA: C22H18N4O2S
MOLECULAR WEIGHT: 402.46892
SMILES: C1=CC=C(C=C1)C(=O)NC(=NC(=S)NC2C3=CC=CC=C3OC4=CC=CC=C24)N
Structure:
CAS RN: 122684-33-7
CAS Name: pyrrolidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester
OPENEYE Name: O1-tert-butyl O3-methyl pyrrolidine-1,3-dicarboxylate
IUPAC Name: 1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O3-methyl pyrrolidine-1,3-dicarboxylate
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)OC
Structure:
CAS RN: 142227-49-4
CAS Name: 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol
OPENEYE Name: 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxy-propyl]amino]ethoxy]-3-methoxy-phenol
IUPAC Name: 4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenol
SYSTEMATIC NAME: 4-[2-[[3-(9H-carbazol-4-yloxy)-2-oxidanyl-propyl]amino]ethoxy]-3-methoxy-phenol
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: COC1=C(C=CC(=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
Structure:
CAS RN: 35872-20-9
CAS Name: 3,5-dimethyl-4-(3-nitrophenyl)azo-1-pyrazolecarbothioamide
OPENEYE Name: 3,5-dimethyl-4-(3-nitrophenyl)azo-pyrazole-1-carbothioamide
IUPAC Name: 3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
SYSTEMATIC NAME: 3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
MOLECULAR FORMULA: C12H12N6O2S
MOLECULAR WEIGHT: 304.32768
SMILES: CC1=C(C(=NN1C(=S)N)C)N=NC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 56596-71-5
CAS Name: 3-(methylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 3-(methylsulfamoyl)benzenecarbothioamide
IUPAC Name: 3-(methylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 3-(methylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C8H10N2O2S2
MOLECULAR WEIGHT: 230.3072
SMILES: CNS(=O)(=O)C1=CC=CC(=C1)C(=S)N
Structure:
CAS RN: 13769-43-2
CAS Name: potassium oxido(dioxo)vanadium
OPENEYE Name: potassium oxido(dioxo)vanadium
IUPAC Name: potassium oxido(dioxo)vanadium
SYSTEMATIC NAME: potassium oxidanidyl-bis(oxidanylidene)vanadium
MOLECULAR FORMULA: KO3V
MOLECULAR WEIGHT: 138.038
SMILES: [O-][V](=O)=O.[K+]
Structure:
CAS RN: 122684-34-8
CAS Name: 3-carbamoyl-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-aminocarbonylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H18N2O3
MOLECULAR WEIGHT: 214.26152
SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
Structure:
CAS RN: 515846-45-4
CAS Name: 2-bromo-4-ethoxy-5-methoxybenzonitrile
OPENEYE Name: 2-bromo-4-ethoxy-5-methoxy-benzonitrile
IUPAC Name: 2-bromo-4-ethoxy-5-methoxybenzonitrile
SYSTEMATIC NAME: 2-bromanyl-4-ethoxy-5-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: CCOC1=C(C=C(C(=C1)Br)C#N)OC
Structure:
CAS RN: 15088-65-0
CAS Name: 2-diazonio-1-[(2-ethoxy-2-oxoethyl)amino]-4-(4-fluorophenoxy)-3-oxo-1-buten-1-olate
OPENEYE Name: 2-diazonio-1-[(2-ethoxy-2-oxo-ethyl)amino]-4-(4-fluorophenoxy)-3-oxo-but-1-en-1-olate
IUPAC Name: 2-diazonio-1-[(2-ethoxy-2-oxoethyl)amino]-4-(4-fluorophenoxy)-3-oxobut-1-en-1-olate
SYSTEMATIC NAME: 2-diazonio-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-(4-fluoranylphenoxy)-3-oxidanylidene-but-1-en-1-olate
MOLECULAR FORMULA: C14H14FN3O5
MOLECULAR WEIGHT: 323.276463
SMILES: CCOC(=O)CNC(=C(C(=O)COC1=CC=C(C=C1)F)[N+]#N)[O-]
Structure:
CAS RN: 13116-39-7
CAS Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyloxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O2
MOLECULAR WEIGHT: 276.25468
SMILES: CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)N=[N+]=[N-]
Structure:
CAS RN: 13143-63-0
CAS Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-4-azido-5-methyloxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-4-azido-5-methyl-oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O2
MOLECULAR WEIGHT: 276.25468
SMILES: CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)N=[N+]=[N-]
Structure:
CAS RN: 6033-30-3
CAS Name: 3-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-[[2-(4-hydroxyphenyl)-1,1-dimethyl-ethyl]amino]-3-oxo-propanoate
IUPAC Name: ethyl 3-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[[1-(4-hydroxyphenyl)-2-methyl-propan-2-yl]amino]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: CCOC(=O)CC(=O)NC(C)(C)CC1=CC=C(C=C1)O
Structure:
CAS RN: 63698-51-1
CAS Name: 5-(4-ethoxy-3,5-dimethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(4-ethoxy-3,5-dimethoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(4-ethoxy-3,5-dimethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(4-ethoxy-3,5-dimethoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C12H14N2O4S
MOLECULAR WEIGHT: 282.31556
SMILES: CCOC1=C(C=C(C=C1OC)C2=NNC(=S)O2)OC
Structure:
CAS RN: 68241-04-3
CAS Name: [[2-(6,8-dichloro-2-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]thiourea
OPENEYE Name: [[2-(6,8-dichloro-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea
IUPAC Name: [[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-[2-[6,8-bis(chloranyl)-2-methyl-4-oxidanylidene-quinazolin-3-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C12H11Cl2N5O2S
MOLECULAR WEIGHT: 360.21904
SMILES: CC1=NC2=C(C=C(C=C2C(=O)N1CC(=O)NNC(=S)N)Cl)Cl
Structure:
CAS RN: 68377-74-2
CAS Name: [[2-(6,8-dibromo-2-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]thiourea
OPENEYE Name: [[2-(6,8-dibromo-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea
IUPAC Name: [[2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-[2-[6,8-bis(bromanyl)-2-methyl-4-oxidanylidene-quinazolin-3-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C12H11Br2N5O2S
MOLECULAR WEIGHT: 449.12104
SMILES: CC1=NC2=C(C=C(C=C2C(=O)N1CC(=O)NNC(=S)N)Br)Br
Structure:
CAS RN: 68241-02-1
CAS Name: [[2-(2-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]thiourea
OPENEYE Name: [[2-(2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea
IUPAC Name: [[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-[2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]thiourea
MOLECULAR FORMULA: C12H13N5O2S
MOLECULAR WEIGHT: 291.32892
SMILES: CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NNC(=S)N
Structure:
CAS RN: 64788-37-0
CAS Name: [(2-chloro-1-pentyl-3-indolyl)methylideneamino]thiourea
OPENEYE Name: [(2-chloro-1-pentyl-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(2-chloro-1-pentylindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-pentyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C15H19ClN4S
MOLECULAR WEIGHT: 322.85616
SMILES: CCCCCN1C2=CC=CC=C2C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 6300-83-0
CAS Name: 1-butyl-3-[(5-nitro-2-pyridinyl)amino]thiourea
OPENEYE Name: 1-butyl-3-[(5-nitro-2-pyridyl)amino]thiourea
IUPAC Name: 1-butyl-3-[(5-nitropyridin-2-yl)amino]thiourea
SYSTEMATIC NAME: 1-butyl-3-[(5-nitropyridin-2-yl)amino]thiourea
MOLECULAR FORMULA: C10H15N5O2S
MOLECULAR WEIGHT: 269.3234
SMILES: CCCCNC(=S)NNC1=NC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 59552-85-1
CAS Name: 5-sulfanylidene-1,2,6,10b-tetrahydropyrazolo[1,5-c]quinazoline-3-carboxamide
OPENEYE Name: 5-thioxo-1,2,6,10b-tetrahydropyrazolo[1,5-c]quinazoline-3-carboxamide
IUPAC Name: 5-sulfanylidene-1,2,6,10b-tetrahydropyrazolo[1,5-c]quinazoline-3-carboxamide
SYSTEMATIC NAME: 5-sulfanylidene-1,2,6,10b-tetrahydropyrazolo[1,5-c]quinazoline-3-carboxamide
MOLECULAR FORMULA: C11H12N4OS
MOLECULAR WEIGHT: 248.30418
SMILES: C1CN(N2C1C3=CC=CC=C3NC2=S)C(=O)N
Structure:
CAS RN: 13635-04-6
CAS Name: 3-hydroxy-3-methylbutanenitrile
OPENEYE Name: 3-hydroxy-3-methyl-butanenitrile
IUPAC Name: 3-hydroxy-3-methylbutanenitrile
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-butanenitrile
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CC(C)(CC#N)O
Structure:
CAS RN: 78832-65-2
CAS Name: 2-[[[1-[2-[[2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
OPENEYE Name: 2-[[1-[2-[[2-[3-(2-furyl)prop-2-enoylamino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name: 2-[[1-[2-[[2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[1-[2-[[2-[3-(furan-2-yl)prop-2-enoylamino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C23H32N4O7
MOLECULAR WEIGHT: 476.52278
SMILES: CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C=CC2=CC=CO2
Structure:
CAS RN: 312517-86-5
CAS Name: 4-[(2-furanylmethylthio)methyl]benzoate
OPENEYE Name: 4-(2-furylmethylsulfanylmethyl)benzoate
IUPAC Name: 4-(furan-2-ylmethylsulfanylmethyl)benzoate
SYSTEMATIC NAME: 4-(furan-2-ylmethylsulfanylmethyl)benzoate
MOLECULAR FORMULA: C13H11O3S-
MOLECULAR WEIGHT: 247.28964
SMILES: C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 1683-49-4
CAS Name: 4-[3-(trifluoromethyl)phenyl]-4-piperidin-1-iumol
OPENEYE Name: 4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol
IUPAC Name: 4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol
SYSTEMATIC NAME: 4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol
MOLECULAR FORMULA: C12H15F3NO+
MOLECULAR WEIGHT: 246.24881
SMILES: C1C[NH2+]CCC1(C2=CC(=CC=C2)C(F)(F)F)O
Structure:
CAS RN: 42902-09-0
CAS Name: 2-(2-amino-4-ethyl-6-phenyl-5-pyrimidinyl)-5-nitrophenol
OPENEYE Name: 2-(2-amino-4-ethyl-6-phenyl-pyrimidin-5-yl)-5-nitro-phenol
IUPAC Name: 2-(2-amino-4-ethyl-6-phenylpyrimidin-5-yl)-5-nitrophenol
SYSTEMATIC NAME: 2-(2-azanyl-4-ethyl-6-phenyl-pyrimidin-5-yl)-5-nitro-phenol
MOLECULAR FORMULA: C18H16N4O3
MOLECULAR WEIGHT: 336.34464
SMILES: CCC1=NC(=NC(=C1C2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3)N
Structure:
CAS RN: 69243-56-7
CAS Name: N-(4-phenyldiazenylphenyl)carbamodithioic acid (4-chlorophenyl)methyl ester
OPENEYE Name: (4-chlorophenyl)methyl N-(4-phenylazophenyl)carbamodithioate
IUPAC Name: (4-chlorophenyl)methyl N-(4-phenyldiazenylphenyl)carbamodithioate
SYSTEMATIC NAME: (4-chlorophenyl)methyl N-(4-phenyldiazenylphenyl)carbamodithioate
MOLECULAR FORMULA: C20H16ClN3S2
MOLECULAR WEIGHT: 397.94414
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)SCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 7463-64-1
CAS Name: 6-azido-7-nitroquinoxaline
OPENEYE Name: 6-azido-7-nitro-quinoxaline
IUPAC Name: 6-azido-7-nitroquinoxaline
SYSTEMATIC NAME: 6-azido-7-nitro-quinoxaline
MOLECULAR FORMULA: C8H4N6O2
MOLECULAR WEIGHT: 216.15636
SMILES: C1=NC2=CC(=C(C=C2N=C1)[N+](=O)[O-])N=[N+]=[N-]
Structure:
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