CAS RN: 23707-29-1
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxo-1-pyrimidinyl)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(4-ethoxy-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H26N2O11
MOLECULAR WEIGHT: 470.42724
SMILES: CCOC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 14134-34-0
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[2-oxo-4-[[oxo-[4-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]phenyl]methyl]amino]-1-pyrimidinyl]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[4-[[4-[[2-(benzyloxycarbonylamino)acetyl]amino]benzoyl]amino]-2-oxo-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[2-oxo-4-[[4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoyl]amino]pyrimidin-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[2-oxidanylidene-4-[[4-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]carbonylamino]pyrimidin-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C35H37N5O14
MOLECULAR WEIGHT: 751.69338
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)NC(=O)CNC(=O)OCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 50623-00-2
CAS Name: N-(4-methylphenyl)-2-nitrobenzamide
OPENEYE Name: 2-nitro-N-(p-tolyl)benzamide
IUPAC Name: N-(4-methylphenyl)-2-nitrobenzamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-nitro-benzamide
MOLECULAR FORMULA: C14H12N2O3
MOLECULAR WEIGHT: 256.25668
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 4752-98-1
CAS Name: 2,2,2-trichloroacetic acid [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxo-1-pyrimidinyl)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(4-ethoxy-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl 2,2,2-trichloroacetate
IUPAC Name: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-trichloroacetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C20H23Cl3N2O11
MOLECULAR WEIGHT: 573.76242
SMILES: CCOC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 4753-00-8
CAS Name: acetic acid [3,4-diacetyloxy-5-benzamido-6-[[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxo-1-pyrimidinyl)-2-oxanyl]methoxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-benzamido-6-[[3,4,5-triacetoxy-6-(4-ethoxy-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-benzamido-6-[[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-benzamido-6-[[3,4,5-triacetyloxy-6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C37H45N3O18
MOLECULAR WEIGHT: 819.7625
SMILES: CCOC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 13100-46-4
CAS Name: acetic acid [4,5,6-triacetyloxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [4,5,6-triacetoxy-2-(hydroxymethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H20O10
MOLECULAR WEIGHT: 348.3026
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CO
Structure:
CAS RN: 969-19-7
CAS Name: (6,6-dimethyl-5-phenyl-2,3-dihydropyrazin-1-yl)-phenylmethanone
OPENEYE Name: (6,6-dimethyl-5-phenyl-2,3-dihydropyrazin-1-yl)-phenyl-methanone
IUPAC Name: (6,6-dimethyl-5-phenyl-2,3-dihydropyrazin-1-yl)-phenylmethanone
SYSTEMATIC NAME: (6,6-dimethyl-5-phenyl-2,3-dihydropyrazin-1-yl)-phenyl-methanone
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: CC1(C(=NCCN1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 29376-76-9
CAS Name: N-(4-bromophenyl)-2,2-diphenylethenimine
OPENEYE Name: N-(4-bromophenyl)-2,2-diphenyl-ethenimine
IUPAC Name: N-(4-bromophenyl)-2,2-diphenylethenimine
SYSTEMATIC NAME: N-(4-bromophenyl)-2,2-diphenyl-ethenimine
MOLECULAR FORMULA: C20H14BrN
MOLECULAR WEIGHT: 348.23586
SMILES: C1=CC=C(C=C1)C(=C=NC2=CC=C(C=C2)Br)C3=CC=CC=C3
Structure:
CAS RN: 2564-09-2
CAS Name: 2,2,2-trichloro-N-(4-methylphenyl)acetamide
OPENEYE Name: 2,2,2-trichloro-N-(p-tolyl)acetamide
IUPAC Name: 2,2,2-trichloro-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H8Cl3NO
MOLECULAR WEIGHT: 252.52492
SMILES: CC1=CC=C(C=C1)NC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 21843-88-9
CAS Name: N-(2-methylphenyl)-2,2-diphenylethenimine
OPENEYE Name: N-(o-tolyl)-2,2-diphenyl-ethenimine
IUPAC Name: N-(2-methylphenyl)-2,2-diphenylethenimine
SYSTEMATIC NAME: N-(2-methylphenyl)-2,2-diphenyl-ethenimine
MOLECULAR FORMULA: C21H17N
MOLECULAR WEIGHT: 283.36638
SMILES: CC1=CC=CC=C1N=C=C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 13369-61-4
CAS Name: acetic acid (1-methylazocyclohexyl) ester
OPENEYE Name: (1-methylazocyclohexyl) acetate
IUPAC Name: [1-(methyldiazenyl)cyclohexyl] acetate
SYSTEMATIC NAME: [1-(methyldiazenyl)cyclohexyl] ethanoate
MOLECULAR FORMULA: C9H16N2O2
MOLECULAR WEIGHT: 184.23554
SMILES: CC(=O)OC1(CCCCC1)N=NC
Structure:
CAS RN: 51579-87-4
CAS Name: N,N-dimethyl-2-oxo-2-phenylacetamide
OPENEYE Name: N,N-dimethyl-2-oxo-2-phenyl-acetamide
IUPAC Name: N,N-dimethyl-2-oxo-2-phenylacetamide
SYSTEMATIC NAME: N,N-dimethyl-2-oxidanylidene-2-phenyl-ethanamide
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CN(C)C(=O)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 51798-30-2
CAS Name: N-[(2-methyl-1-cyclohex-2-enylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(2-methylcyclohex-2-en-1-ylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(2-methylcyclohex-2-en-1-ylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(2-methylcyclohex-2-en-1-ylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H14N4O4
MOLECULAR WEIGHT: 290.27466
SMILES: CC1=CCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3341-41-1
CAS Name: 1-(1-anilinocyclopentyl)ethanone
OPENEYE Name: 1-(1-anilinocyclopentyl)ethanone
IUPAC Name: 1-(1-anilinocyclopentyl)ethanone
SYSTEMATIC NAME: 1-(1-phenylazanylcyclopentyl)ethanone
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: CC(=O)C1(CCCC1)NC2=CC=CC=C2
Structure:
CAS RN: 1015-11-8
CAS Name: 3,3-dimethyl-2-phenyl-2-morpholinol
OPENEYE Name: 3,3-dimethyl-2-phenyl-morpholin-2-ol
IUPAC Name: 3,3-dimethyl-2-phenylmorpholin-2-ol
SYSTEMATIC NAME: 3,3-dimethyl-2-phenyl-morpholin-2-ol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1(C(OCCN1)(C2=CC=CC=C2)O)C
Structure:
CAS RN: 1012-75-5
CAS Name: 2-(1-aziridinyl)-2-methyl-1-phenyl-1-propanone
OPENEYE Name: 2-(aziridin-1-yl)-2-methyl-1-phenyl-propan-1-one
IUPAC Name: 2-(aziridin-1-yl)-2-methyl-1-phenylpropan-1-one
SYSTEMATIC NAME: 2-(aziridin-1-yl)-2-methyl-1-phenyl-propan-1-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CC(C)(C(=O)C1=CC=CC=C1)N2CC2
Structure:
CAS RN: 63254-88-6
CAS Name: 2-(phenylmethoxycarbonylamino)benzoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)benzoic acid
IUPAC Name: 2-(phenylmethoxycarbonylamino)benzoic acid
SYSTEMATIC NAME: 2-(phenylmethoxycarbonylamino)benzoic acid
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 7015-32-9
CAS Name: [1-(ethylamino)cyclopentyl]-phenylmethanone
OPENEYE Name: [1-(ethylamino)cyclopentyl]-phenyl-methanone
IUPAC Name: [1-(ethylamino)cyclopentyl]-phenylmethanone
SYSTEMATIC NAME: [1-(ethylamino)cyclopentyl]-phenyl-methanone
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CCNC1(CCCC1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 20283-99-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H47NO
MOLECULAR WEIGHT: 401.66818
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCNC(=O)C4)C)C
Structure:
CAS RN: 326-55-6
CAS Name: 6-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 6-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 6-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H5F3N2
MOLECULAR WEIGHT: 186.13391
SMILES: C1=CC2=C(C=C1C(F)(F)F)NC=N2
Structure:
CAS RN: 4494-53-5
CAS Name: 2-methyl-4H-isoquinoline-1,3-dione
OPENEYE Name: 2-methyl-4H-isoquinoline-1,3-dione
IUPAC Name: 2-methyl-4H-isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-methyl-4H-isoquinoline-1,3-dione
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CN1C(=O)CC2=CC=CC=C2C1=O
Structure:
CAS RN: 4456-77-3
CAS Name: 4H-isoquinoline-1,3-dione
OPENEYE Name: 4H-isoquinoline-1,3-dione
IUPAC Name: 4H-isoquinoline-1,3-dione
SYSTEMATIC NAME: 4H-isoquinoline-1,3-dione
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1C2=CC=CC=C2C(=O)NC1=O
Structure:
CAS RN: 65141-76-6
CAS Name: 2-(1-oxido-2-pyridin-1-iumyl)-1-(3-pyridinyl)ethanone
OPENEYE Name: 2-(1-oxidopyridin-1-ium-2-yl)-1-(3-pyridyl)ethanone
IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)-1-pyridin-3-ylethanone
SYSTEMATIC NAME: 2-(1-oxidanidylpyridin-1-ium-2-yl)-1-pyridin-3-yl-ethanone
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=[N+](C(=C1)CC(=O)C2=CN=CC=C2)[O-]
Structure:
CAS RN: 61395-07-1
CAS Name: 2-(1-oxido-2-pyridin-1-iumyl)-1-phenylethanone
OPENEYE Name: 2-(1-oxidopyridin-1-ium-2-yl)-1-phenyl-ethanone
IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(1-oxidanidylpyridin-1-ium-2-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: C1=CC=C(C=C1)C(=O)CC2=CC=CC=[N+]2[O-]
Structure:
CAS RN: 64002-06-8
CAS Name: 1-(4,5-dihydrothiazol-2-yl)-3-methylurea
OPENEYE Name: 1-(4,5-dihydrothiazol-2-yl)-3-methyl-urea
IUPAC Name: 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylurea
SYSTEMATIC NAME: 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-urea
MOLECULAR FORMULA: C5H9N3OS
MOLECULAR WEIGHT: 159.20946
SMILES: CNC(=O)NC1=NCCS1
Structure:
CAS RN: 92381-38-9
CAS Name: 1-methyl-3-[4-[[[methyl(nitroso)amino]-oxomethyl]amino]butyl]-1-nitrosourea
OPENEYE Name: 1-methyl-3-[4-[[methyl(nitroso)carbamoyl]amino]butyl]-1-nitroso-urea
IUPAC Name: 1-methyl-3-[4-[[methyl(nitroso)carbamoyl]amino]butyl]-1-nitrosourea
SYSTEMATIC NAME: 1-methyl-3-[4-[[methyl(nitroso)carbamoyl]amino]butyl]-1-nitroso-urea
MOLECULAR FORMULA: C8H16N6O4
MOLECULAR WEIGHT: 260.25044
SMILES: CN(C(=O)NCCCCNC(=O)N(C)N=O)N=O
Structure:
CAS RN: 13404-51-8
CAS Name: 1-methyl-3-[3-[[[methyl(nitroso)amino]-oxomethyl]amino]propyl]-1-nitrosourea
OPENEYE Name: 1-methyl-3-[3-[[methyl(nitroso)carbamoyl]amino]propyl]-1-nitroso-urea
IUPAC Name: 1-methyl-3-[3-[[methyl(nitroso)carbamoyl]amino]propyl]-1-nitrosourea
SYSTEMATIC NAME: 1-methyl-3-[3-[[methyl(nitroso)carbamoyl]amino]propyl]-1-nitroso-urea
MOLECULAR FORMULA: C7H14N6O4
MOLECULAR WEIGHT: 246.22386
SMILES: CN(C(=O)NCCCNC(=O)N(C)N=O)N=O
Structure:
CAS RN: 92381-39-0
CAS Name: 1-methyl-3-[2-[2-[[[methyl(nitroso)amino]-oxomethyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
OPENEYE Name: 1-methyl-3-[2-[2-[[methyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitroso-urea
IUPAC Name: 1-methyl-3-[2-[2-[[methyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
SYSTEMATIC NAME: 1-methyl-3-[2-[2-[[methyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitroso-urea
MOLECULAR FORMULA: C8H16N6O4S2
MOLECULAR WEIGHT: 324.38044
SMILES: CN(C(=O)NCCSSCCNC(=O)N(C)N=O)N=O
Structure:
CAS RN: 78152-52-0
CAS Name: 1-methyl-3-[3-(methylcarbamoylamino)propyl]urea
OPENEYE Name: 1-methyl-3-[3-(methylcarbamoylamino)propyl]urea
IUPAC Name: 1-methyl-3-[3-(methylcarbamoylamino)propyl]urea
SYSTEMATIC NAME: 1-methyl-3-[3-(methylcarbamoylamino)propyl]urea
MOLECULAR FORMULA: C7H16N4O2
MOLECULAR WEIGHT: 188.22754
SMILES: CNC(=O)NCCCNC(=O)NC
Structure:
CAS RN: 20633-51-6
CAS Name: 1-methyl-3-[4-(methylcarbamoylamino)butyl]urea
OPENEYE Name: 1-methyl-3-[4-(methylcarbamoylamino)butyl]urea
IUPAC Name: 1-methyl-3-[4-(methylcarbamoylamino)butyl]urea
SYSTEMATIC NAME: 1-methyl-3-[4-(methylcarbamoylamino)butyl]urea
MOLECULAR FORMULA: C8H18N4O2
MOLECULAR WEIGHT: 202.25412
SMILES: CNC(=O)NCCCCNC(=O)NC
Structure:
CAS RN: 92351-58-1
CAS Name: 1-methyl-3-[2-[2-(methylcarbamoylamino)ethyldisulfanyl]ethyl]urea
OPENEYE Name: 1-methyl-3-[2-[2-(methylcarbamoylamino)ethyldisulfanyl]ethyl]urea
IUPAC Name: 1-methyl-3-[2-[2-(methylcarbamoylamino)ethyldisulfanyl]ethyl]urea
SYSTEMATIC NAME: 1-methyl-3-[2-[2-(methylcarbamoylamino)ethyldisulfanyl]ethyl]urea
MOLECULAR FORMULA: C8H18N4O2S2
MOLECULAR WEIGHT: 266.38412
SMILES: CNC(=O)NCCSSCCNC(=O)NC
Structure:
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