CAS RN: 24493-40-1
CAS Name: 5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 5-fluoro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H11FN2O4
MOLECULAR WEIGHT: 230.193043
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C=NC2=O)F)CO)O
Structure:
CAS RN: 2140-29-6
CAS Name: (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanal
OPENEYE Name: (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
IUPAC Name: (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
Structure:
CAS RN: 5345-82-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(5-phenyl-3-isoxazolyl)-2-(1-piperidinyl)ethanol
OPENEYE Name: 1-(5-phenylisoxazol-3-yl)-2-(1-piperidyl)ethanol citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-yl-ethanol
MOLECULAR FORMULA: C38H45N4O11-3
MOLECULAR WEIGHT: 733.7841
SMILES: C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 2134-98-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: CC[C@@H]1CN([C@H]2CC3=C(C(=O)CC1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C
Structure:
CAS RN: 10059-97-9
CAS Name: 1-[[4-[[3-[diethylamino(oxo)methyl]-1-piperidinyl]methyl]phenyl]methyl]-N,N-diethyl-3-piperidinecarboxamide
OPENEYE Name: 1-[[4-[[3-(diethylcarbamoyl)-1-piperidyl]methyl]phenyl]methyl]-N,N-diethyl-piperidine-3-carboxamide
IUPAC Name: 1-[[4-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
SYSTEMATIC NAME: 1-[[4-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C28H46N4O2
MOLECULAR WEIGHT: 470.69044
SMILES: CCN(CC)C(=O)C1CCCN(C1)CC2=CC=C(C=C2)CN3CCCC(C3)C(=O)N(CC)CC
Structure:
CAS RN: 2113-93-1
CAS Name: 4-acetyl-5-hydroxy-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-acetyl-5-hydroxy-1,2-dihydropyrrol-3-one
IUPAC Name: 4-acetyl-5-hydroxy-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C6H7NO3
MOLECULAR WEIGHT: 141.12468
SMILES: CC(=O)C1=C(NCC1=O)O
Structure:
CAS RN: 160886-25-9
CAS Name: barium(2+) dithiocyanate
OPENEYE Name: barium(2+) dithiocyanate
IUPAC Name: barium(2+) dithiocyanate
SYSTEMATIC NAME: barium(2+) dithiocyanate
MOLECULAR FORMULA: C2BaN2S2
MOLECULAR WEIGHT: 253.4918
SMILES: C(#N)[S-].C(#N)[S-].[Ba+2]
Structure:
CAS RN: 856293-38-4
CAS Name: barium(2+) dithiocyanate
OPENEYE Name: barium(2+) dithiocyanate
IUPAC Name: barium(2+) dithiocyanate
SYSTEMATIC NAME: barium(2+) dithiocyanate
MOLECULAR FORMULA: C2BaN2S2
MOLECULAR WEIGHT: 253.4918
SMILES: C(#N)[S-].C(#N)[S-].[Ba+2]
Structure:
CAS RN: 2090-53-1
CAS Name: chloro(2-hydroxyethyl)mercury
OPENEYE Name: chloro(2-hydroxyethyl)mercury
IUPAC Name: chloro(2-hydroxyethyl)mercury
SYSTEMATIC NAME: chloranyl(2-hydroxyethyl)mercury
MOLECULAR FORMULA: C2H5ClHgO
MOLECULAR WEIGHT: 281.1035
SMILES: C(C[Hg]Cl)O
Structure:
CAS RN: 23230-96-8
CAS Name: 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
OPENEYE Name: 2-(4-hydroxy-3-methoxy-phenyl)-2-oxo-acetic acid
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C9H8O5
MOLECULAR WEIGHT: 196.15682
SMILES: COC1=C(C=CC(=C1)C(=O)C(=O)O)O
Structure:
CAS RN: 2012-73-9
CAS Name: 2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
OPENEYE Name: 2-methyl-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propanoic acid
IUPAC Name: 2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
SYSTEMATIC NAME: 2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
MOLECULAR FORMULA: C19H22O3
MOLECULAR WEIGHT: 298.37618
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(C)(C)C(=O)O
Structure:
CAS RN: 18198-39-5
CAS Name: tetraphenylphosphonium
OPENEYE Name: tetraphenylphosphonium
IUPAC Name: tetraphenylphosphanium
SYSTEMATIC NAME: tetraphenylphosphanium
MOLECULAR FORMULA: C24H20P+
MOLECULAR WEIGHT: 339.389361
SMILES: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 2001-45-8
CAS Name: tetraphenylphosphonium chloride
OPENEYE Name: tetraphenylphosphonium chloride
IUPAC Name: tetraphenylphosphanium chloride
SYSTEMATIC NAME: tetraphenylphosphanium chloride
MOLECULAR FORMULA: C24H20ClP
MOLECULAR WEIGHT: 374.842361
SMILES: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
Structure:
CAS RN: 1991-93-1
CAS Name: (2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=CC2=C(C=C1)C(=CN2)C[C@@H](C(=O)O)N
Structure:
CAS RN: 22796-26-5
CAS Name: heptane-1,4,7-triamine
OPENEYE Name: heptane-1,4,7-triamine
IUPAC Name: heptane-1,4,7-triamine
SYSTEMATIC NAME: heptane-1,4,7-triamine
MOLECULAR FORMULA: C7H19N3
MOLECULAR WEIGHT: 145.24586
SMILES: C(CC(CCCN)N)CN
Structure:
CAS RN: 22792-42-3
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C19H25N7O15P2
MOLECULAR WEIGHT: 653.387222
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)CO)OP(=O)(O)O)O
Structure:
CAS RN: 22390-69-8
CAS Name: [2-[dimethylamino(oxo)methoxy]-5-phenylphenyl]methyl-trimethylammonium
OPENEYE Name: [2-(dimethylcarbamoyloxy)-5-phenyl-phenyl]methyl-trimethyl-ammonium
IUPAC Name: [2-(dimethylcarbamoyloxy)-5-phenylphenyl]methyl-trimethylazanium
SYSTEMATIC NAME: [2-(dimethylcarbamoyloxy)-5-phenyl-phenyl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C19H25N2O2+
MOLECULAR WEIGHT: 313.414
SMILES: CN(C)C(=O)OC1=C(C=C(C=C1)C2=CC=CC=C2)C[N+](C)(C)C
Structure:
CAS RN: 26531-51-1
CAS Name: 4-methoxy-6-(2-phenylethenyl)-2-pyranone
OPENEYE Name: 4-methoxy-6-styryl-pyran-2-one
IUPAC Name: 4-methoxy-6-(2-phenylethenyl)pyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-(2-phenylethenyl)pyran-2-one
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC=CC=C2
Structure:
CAS RN: 22041-22-1
CAS Name: 3-(1-aziridinyl)-N-[3-(1-aziridinyl)propyl]-1-propanamine
OPENEYE Name: 3-(aziridin-1-yl)-N-[3-(aziridin-1-yl)propyl]propan-1-amine
IUPAC Name: 3-(aziridin-1-yl)-N-[3-(aziridin-1-yl)propyl]propan-1-amine
SYSTEMATIC NAME: 3-(aziridin-1-yl)-N-[3-(aziridin-1-yl)propyl]propan-1-amine
MOLECULAR FORMULA: C10H21N3
MOLECULAR WEIGHT: 183.29384
SMILES: C1CN1CCCNCCCN2CC2
Structure:
CAS RN: 1852-61-5
CAS Name: (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@@H](CC[C@]34C)O
Structure:
CAS RN: 1845-30-3
CAS Name: (1R,2R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enol
OPENEYE Name: (1R,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
IUPAC Name: (1R,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
SYSTEMATIC NAME: (1R,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1=C[C@H]([C@@H]2C[C@H]1C2(C)C)O
Structure:
CAS RN: 2140-52-5
CAS Name: iron(3+) triacetate
OPENEYE Name: ferric triacetate
IUPAC Name: iron(3+) triacetate
SYSTEMATIC NAME: iron(3+) triethanoate
MOLECULAR FORMULA: C6H9FeO6
MOLECULAR WEIGHT: 232.97706
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+3]
Structure:
CAS RN: 1834-27-1
CAS Name: 3-chloro-5-methyl-1H-pyridazin-6-one
OPENEYE Name: 3-chloro-5-methyl-1H-pyridazin-6-one
IUPAC Name: 3-chloro-5-methyl-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-chloranyl-5-methyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C5H5ClN2O
MOLECULAR WEIGHT: 144.559
SMILES: CC1=CC(=NNC1=O)Cl
Structure:
CAS RN: 21315-20-8
CAS Name: 3-chloro-5-methyl-1H-pyridazin-6-one
OPENEYE Name: 3-chloro-5-methyl-1H-pyridazin-6-one
IUPAC Name: 3-chloro-5-methyl-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-chloranyl-5-methyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C5H5ClN2O
MOLECULAR WEIGHT: 144.559
SMILES: CC1=CC(=NNC1=O)Cl
Structure:
CAS RN: 1773-89-3
CAS Name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
IUPAC Name: dimethyl 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
MOLECULAR FORMULA: C11H8Cl6O4
MOLECULAR WEIGHT: 416.89682
SMILES: COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OC
Structure:
CAS RN: 20914-69-6
CAS Name: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f]benzofuran-2-one
OPENEYE Name: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f]benzofuran-2-one
IUPAC Name: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
SYSTEMATIC NAME: (3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxidanylidenebutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C
Structure:
CAS RN: 1325-81-1
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-methylimino-1-cyclohexa-2,5-dienylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
Structure:
CAS RN: 1733-13-7
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-methylimino-1-cyclohexa-2,5-dienylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
Structure:
CAS RN: 52080-58-7
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-methylimino-1-cyclohexa-2,5-dienylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
Structure:
CAS RN: 53469-18-4
CAS Name: 4-[[4-(dimethylamino)phenyl]-(4-methylimino-1-cyclohexa-2,5-dienylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
Structure:
CAS RN: 1721-59-1
CAS Name: 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2-propanol
OPENEYE Name: 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol
IUPAC Name: 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol
SYSTEMATIC NAME: 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol
MOLECULAR FORMULA: C30H52O
MOLECULAR WEIGHT: 428.73328
SMILES: C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C(C)(C)O
Structure:
CAS RN: 20503-73-5
CAS Name: 1-(diphenylmethyl)-4-nitrosopiperazine
OPENEYE Name: 1-benzhydryl-4-nitroso-piperazine
IUPAC Name: 1-benzhydryl-4-nitrosopiperazine
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-nitroso-piperazine
MOLECULAR FORMULA: C17H19N3O
MOLECULAR WEIGHT: 281.35226
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)N=O
Structure:
CAS RN: 1668-07-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H12N2O4S2
MOLECULAR WEIGHT: 324.37538
SMILES: CN1C(=O)C23CC4=C(N2C(=O)[C@]1(SS3)CO)C(=CC=C4)O
Structure:
CAS RN: 19852-25-6
CAS Name: 1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
OPENEYE Name: 1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
IUPAC Name: 1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
MOLECULAR FORMULA: C26H36N4O2
MOLECULAR WEIGHT: 436.58964
SMILES: CCN(CC)CCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NCCN(CC)CC
Structure:
CAS RN: 1608-69-1
CAS Name: acetic acid [formyl(methyl)amino]methyl ester
OPENEYE Name: [formyl(methyl)amino]methyl acetate
IUPAC Name: [formyl(methyl)amino]methyl acetate
SYSTEMATIC NAME: [methanoyl(methyl)amino]methyl ethanoate
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CC(=O)OCN(C)C=O
Structure:
CAS RN: 19813-97-9
CAS Name: acetic acid [formyl(methyl)amino]methyl ester
OPENEYE Name: [formyl(methyl)amino]methyl acetate
IUPAC Name: [formyl(methyl)amino]methyl acetate
SYSTEMATIC NAME: [methanoyl(methyl)amino]methyl ethanoate
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CC(=O)OCN(C)C=O
Structure:
CAS RN: 1971-46-6
CAS Name: 1-(ethoxymethyl)aziridine
OPENEYE Name: 1-(ethoxymethyl)aziridine
IUPAC Name: 1-(ethoxymethyl)aziridine
SYSTEMATIC NAME: 1-(ethoxymethyl)aziridine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CCOCN1CC1
Structure:
CAS RN: 19656-47-4
CAS Name: 1-[1-aziridinyl(phenyl)methyl]aziridine
OPENEYE Name: 1-[aziridin-1-yl(phenyl)methyl]aziridine
IUPAC Name: 1-[aziridin-1-yl(phenyl)methyl]aziridine
SYSTEMATIC NAME: 1-[aziridin-1-yl(phenyl)methyl]aziridine
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: C1CN1C(C2=CC=CC=C2)N3CC3
Structure:
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