CAS RN: 2061-46-3
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-3-oxidanyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: CC(=O)OC1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)O)C)C#C
Structure:
CAS RN: 2058-49-3
CAS Name: 3-methylsulfonyl-1-propanol
OPENEYE Name: 3-methylsulfonylpropan-1-ol
IUPAC Name: 3-methylsulfonylpropan-1-ol
SYSTEMATIC NAME: 3-methylsulfonylpropan-1-ol
MOLECULAR FORMULA: C4H10O3S
MOLECULAR WEIGHT: 138.1854
SMILES: CS(=O)(=O)CCCO
Structure:
CAS RN: 2054-82-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: C1CN2[C@H]3[C@@H]4[C@H]1OCC[C@H]5[C@@H]4C[C@H]6C3(CCN6C5)C7=CC=CC=C72
Structure:
CAS RN: 2054-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O
MOLECULAR WEIGHT: 320.42806
SMILES: C1CN2[C@H]3[C@@H]4[C@H]1OCC=C5[C@@H]4C[C@H]6C3(CCN6C5)C7=CC=CC=C72
Structure:
CAS RN: 2053-95-4
CAS Name: 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
OPENEYE Name: 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
IUPAC Name: 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[3-(trifluoromethyl)phenyl]benzamide
MOLECULAR FORMULA: C14H9F4NO
MOLECULAR WEIGHT: 283.220973
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)F
Structure:
CAS RN: 2047-62-3
CAS Name: 2-[[5-chloro-1-[(4-methoxyphenyl)methyl]-3-indazolyl]oxy]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-[5-chloro-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-[5-chloro-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[5-chloranyl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H23Cl2N3O2
MOLECULAR WEIGHT: 396.31082
SMILES: CN(C)CCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 2047-14-5
CAS Name: 2-(diethoxyphosphinothioylthio)acetamide
OPENEYE Name: 2-diethoxyphosphinothioylsulfanylacetamide
IUPAC Name: 2-diethoxyphosphinothioylsulfanylacetamide
SYSTEMATIC NAME: 2-diethoxyphosphinothioylsulfanylethanamide
MOLECULAR FORMULA: C6H14NO3PS2
MOLECULAR WEIGHT: 243.284021
SMILES: CCOP(=S)(OCC)SCC(=O)N
Structure:
CAS RN: 2044-91-9
CAS Name: 5-methyl-3-(4-methylphenyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-methyl-3-(p-tolyl)-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C11H11NOS2
MOLECULAR WEIGHT: 237.34114
SMILES: CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C
Structure:
CAS RN: 2034-61-9
CAS Name: 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
OPENEYE Name: 2-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
IUPAC Name: 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(C(=O)C1=CC(=C(C=C1)O)OC)O
Structure:
CAS RN: 2034-24-4
CAS Name: 3-(2-hydroxyethyl)-2H-triazolo[4,5-d]pyrimidine-5,7-dione
OPENEYE Name: 3-(2-hydroxyethyl)-2H-triazolo[4,5-d]pyrimidine-5,7-dione
IUPAC Name: 3-(2-hydroxyethyl)-2H-triazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C6H7N5O3
MOLECULAR WEIGHT: 197.15148
SMILES: C(CO)N1C2=NC(=O)NC(=O)C2=NN1
Structure:
CAS RN: 2033-74-1
CAS Name: 1-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenoxy)hexyl]piperazine
OPENEYE Name: 1-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenoxy)hexyl]piperazine
IUPAC Name: 1-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenoxy)hexyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenoxy)hexyl]piperazine
MOLECULAR FORMULA: C24H33ClN2O3
MOLECULAR WEIGHT: 432.98342
SMILES: COC1=C(C=C(C=C1)OCCCCCCN2CCN(CC2)C3=CC=CC=C3Cl)OC
Structure:
CAS RN: 2033-73-0
CAS Name: 1-(4-chlorophenyl)-4-[4-(2,6-dimethylphenoxy)butyl]piperazine
OPENEYE Name: 1-(4-chlorophenyl)-4-[4-(2,6-dimethylphenoxy)butyl]piperazine
IUPAC Name: 1-(4-chlorophenyl)-4-[4-(2,6-dimethylphenoxy)butyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[4-(2,6-dimethylphenoxy)butyl]piperazine
MOLECULAR FORMULA: C22H29ClN2O
MOLECULAR WEIGHT: 372.93146
SMILES: CC1=C(C(=CC=C1)C)OCCCCN2CCN(CC2)C3=CC=C(C=C3)Cl
Structure:
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