CAS RN: 92042-81-4
CAS Name: 3,3-diethoxy-2-(4-nitrophenyl)thietane 1,1-dioxide
OPENEYE Name: 3,3-diethoxy-2-(4-nitrophenyl)thietane 1,1-dioxide
IUPAC Name: 3,3-diethoxy-2-(4-nitrophenyl)thietane 1,1-dioxide
SYSTEMATIC NAME: 3,3-diethoxy-2-(4-nitrophenyl)thietane 1,1-dioxide
MOLECULAR FORMULA: C13H17NO6S
MOLECULAR WEIGHT: 315.34218
SMILES: CCOC1(CS(=O)(=O)C1C2=CC=C(C=C2)[N+](=O)[O-])OCC
Structure:
CAS RN: 18487-59-7
CAS Name: 3,3-diethoxythietane 1,1-dioxide
OPENEYE Name: 3,3-diethoxythietane 1,1-dioxide
IUPAC Name: 3,3-diethoxythietane 1,1-dioxide
SYSTEMATIC NAME: 3,3-diethoxythietane 1,1-dioxide
MOLECULAR FORMULA: C7H14O4S
MOLECULAR WEIGHT: 194.24866
SMILES: CCOC1(CS(=O)(=O)C1)OCC
Structure:
CAS RN: 7647-15-6
CAS Name: sodium bromide
OPENEYE Name: sodium bromide
IUPAC Name: sodium bromide
SYSTEMATIC NAME: sodium bromide
MOLECULAR FORMULA: BrNa
MOLECULAR WEIGHT: 102.89377
SMILES: [Na+].[Br-]
Structure:
CAS RN: 59217-63-9
CAS Name: sodium bromide
OPENEYE Name: sodium bromide
IUPAC Name: sodium bromide
SYSTEMATIC NAME: sodium bromide
MOLECULAR FORMULA: BrNa
MOLECULAR WEIGHT: 102.89377
SMILES: [Na+].[Br-]
Structure:
CAS RN: 7758-02-3
CAS Name: potassium bromide
OPENEYE Name: potassium bromide
IUPAC Name: potassium bromide
SYSTEMATIC NAME: potassium bromide
MOLECULAR FORMULA: BrK
MOLECULAR WEIGHT: 119.0023
SMILES: [K+].[Br-]
Structure:
CAS RN: 59217-61-7
CAS Name: potassium bromide
OPENEYE Name: potassium bromide
IUPAC Name: potassium bromide
SYSTEMATIC NAME: potassium bromide
MOLECULAR FORMULA: BrK
MOLECULAR WEIGHT: 119.0023
SMILES: [K+].[Br-]
Structure:
CAS RN: 81002-69-9
CAS Name: 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxaldehyde
OPENEYE Name: 1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde
IUPAC Name: 1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde
SYSTEMATIC NAME: 1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purine-8-carbaldehyde
MOLECULAR FORMULA: C8H8N4O3
MOLECULAR WEIGHT: 208.17412
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=O
Structure:
CAS RN: 58543-89-8
CAS Name: 1,3-dimethyl-8-methylsulfonyl-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-methylsulfonyl-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-methylsulfonyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-methylsulfonyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C8H10N4O4S
MOLECULAR WEIGHT: 258.2544
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)S(=O)(=O)C
Structure:
CAS RN: 73672-11-4
CAS Name: 1-(2-chloroethyl)-3-(4-methoxyphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-methoxyphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-methoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-methoxyphenyl)urea
MOLECULAR FORMULA: C10H13ClN2O2
MOLECULAR WEIGHT: 228.67542
SMILES: COC1=CC=C(C=C1)NC(=O)NCCCl
Structure:
CAS RN: 90666-72-1
CAS Name: 2-sulfanylidene-3-thiophen-2-ylpropanoic acid
OPENEYE Name: 3-(2-thienyl)-2-thioxo-propanoic acid
IUPAC Name: 2-sulfanylidene-3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 2-sulfanylidene-3-thiophen-2-yl-propanoic acid
MOLECULAR FORMULA: C7H6O2S2
MOLECULAR WEIGHT: 186.25134
SMILES: C1=CSC(=C1)CC(=S)C(=O)O
Structure:
CAS RN: 2364-62-7
CAS Name: 1-(1-cyclohexenyl)-4-methoxybenzene
OPENEYE Name: 1-(cyclohexen-1-yl)-4-methoxy-benzene
IUPAC Name: 1-(cyclohexen-1-yl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(cyclohexen-1-yl)-4-methoxy-benzene
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: COC1=CC=C(C=C1)C2=CCCCC2
Structure:
CAS RN: 35973-18-3
CAS Name: 6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
OPENEYE Name: 6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name: 6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O
Structure:
CAS RN: 21070-32-6
CAS Name: N-ethyl-N-(2-pyridinylmethyl)ethanamine
OPENEYE Name: N-ethyl-N-(2-pyridylmethyl)ethanamine
IUPAC Name: N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
SYSTEMATIC NAME: N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCN(CC)CC1=CC=CC=N1
Structure:
CAS RN: 21466-08-0
CAS Name: 17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: 17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: 17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(C4)O
Structure:
CAS RN: 77308-57-7
CAS Name: 2-[9H-fluoren-2-yl(oxo)methyl]benzoic acid
OPENEYE Name: 2-(9H-fluorene-2-carbonyl)benzoic acid
IUPAC Name: 2-(9H-fluorene-2-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-(9H-fluoren-2-ylcarbonyl)benzoic acid
MOLECULAR FORMULA: C21H14O3
MOLECULAR WEIGHT: 314.33406
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O
Structure:
CAS RN: 19879-06-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20O10
MOLECULAR WEIGHT: 444.3882
SMILES: CC1C2=C(C3=C(C(=C2C4C(O1)CC(=O)O4)O)C(=O)C5=C(C3=O)C6(C(OC5CC6O)C)O)O
Structure:
CAS RN: 436-05-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 81523-34-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 477-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 1349-62-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 1398-06-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 1414-38-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 30912-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Structure:
CAS RN: 27208-79-3
CAS Name: (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-(nitromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-(nitromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-(nitromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,16R,17S)-17-ethanoyl-10,13-dimethyl-16-(nitromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31NO4
MOLECULAR WEIGHT: 373.48584
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C[N+](=O)[O-]
Structure:
CAS RN: 26132-67-2
CAS Name: 1,3-bis(4-hydroxyphenyl)urea
OPENEYE Name: 1,3-bis(4-hydroxyphenyl)urea
IUPAC Name: 1,3-bis(4-hydroxyphenyl)urea
SYSTEMATIC NAME: 1,3-bis(4-hydroxyphenyl)urea
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)O)O
Structure:
CAS RN: 21461-38-1
CAS Name: acetic acid 1-(2-methylene-1-aziridinyl)but-3-en-2-yl ester
OPENEYE Name: 1-[(2-methyleneaziridin-1-yl)methyl]allyl acetate
IUPAC Name: 1-(2-methylideneaziridin-1-yl)but-3-en-2-yl acetate
SYSTEMATIC NAME: 1-(2-methylideneaziridin-1-yl)but-3-en-2-yl ethanoate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(=O)OC(CN1CC1=C)C=C
Structure:
CAS RN: 1199-15-1
CAS Name: N-(2-iodocyclohexyl)carbamic acid methyl ester
OPENEYE Name: methyl N-(2-iodocyclohexyl)carbamate
IUPAC Name: methyl N-(2-iodocyclohexyl)carbamate
SYSTEMATIC NAME: methyl N-(2-iodanylcyclohexyl)carbamate
MOLECULAR FORMULA: C8H14INO2
MOLECULAR WEIGHT: 283.10673
SMILES: COC(=O)NC1CCCCC1I
Structure:
CAS RN: 5688-47-1
CAS Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H24O
MOLECULAR WEIGHT: 280.40396
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC=CC=C34
Structure:
CAS RN: 82926-07-6
CAS Name: 2-sulfamoylguanidine
OPENEYE Name: 2-sulfamoylguanidine
IUPAC Name: 2-sulfamoylguanidine
SYSTEMATIC NAME: 2-sulfamoylguanidine
MOLECULAR FORMULA: CH6N4O2S
MOLECULAR WEIGHT: 138.14894
SMILES: C(=NS(=O)(=O)N)(N)N
Structure:
CAS RN: 700-39-0
CAS Name: 1-propan-2-yl-1,3-diazinane-2,4-dione
OPENEYE Name: 1-isopropylhexahydropyrimidine-2,4-dione
IUPAC Name: 1-propan-2-yl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1-propan-2-yl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CC(C)N1CCC(=O)NC1=O
Structure:
CAS RN: 10280-14-5
CAS Name: 2-(6-amino-7-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-aminopurin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-aminopurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanylpurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=NC2=C(C(=N1)N)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 4710-71-8
CAS Name: 2-(6-amino-7-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(6-aminopurin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-aminopurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanylpurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=NC2=C(C(=N1)N)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 3678-15-7
CAS Name: 1,7-bis(phenylmethyl)-6-purinone
OPENEYE Name: 1,7-dibenzylpurin-6-one
IUPAC Name: 1,7-dibenzylpurin-6-one
SYSTEMATIC NAME: 1,7-bis(phenylmethyl)purin-6-one
MOLECULAR FORMULA: C19H16N4O
MOLECULAR WEIGHT: 316.35654
SMILES: C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C=N3)CC4=CC=CC=C4
Structure:
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