CAS RN: 155172-67-1
CAS Name: 4-[2-[ethyl(4-hydroxybutyl)amino]propyl]phenol
OPENEYE Name: 4-[2-[ethyl(4-hydroxybutyl)amino]propyl]phenol
IUPAC Name: 4-[2-[ethyl(4-hydroxybutyl)amino]propyl]phenol
SYSTEMATIC NAME: 4-[2-[ethyl(4-oxidanylbutyl)amino]propyl]phenol
MOLECULAR FORMULA: C15H25NO2
MOLECULAR WEIGHT: 251.3645
SMILES: CCN(CCCCO)C(C)CC1=CC=C(C=C1)O
Structure:
CAS RN: 155144-64-2
CAS Name: 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
OPENEYE Name: 5-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-8-fluoro-2-hydroxy-pyrimido[1,6-a]benzimidazole-1,3-dione
IUPAC Name: 5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
SYSTEMATIC NAME: 5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoranyl-2-oxidanyl-pyrimido[1,6-a]benzimidazole-1,3-dione
MOLECULAR FORMULA: C20H17FN4O3
MOLECULAR WEIGHT: 380.372383
SMILES: CC1=CC(=CC(=N1)C)C2=CC3=C(C=C2F)N4C(=CC(=O)N(C4=O)O)N3C5CC5
Structure:
CAS RN: 101418-63-7
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C18H23N6O15P3
MOLECULAR WEIGHT: 656.327703
SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O
Structure:
CAS RN: 109672-73-3
CAS Name: 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
OPENEYE Name: 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
IUPAC Name: 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 2-fluoranyl-5-[2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C11H14FNO6
MOLECULAR WEIGHT: 275.230363
SMILES: CNCC(C1=CC(=C(C=C1)F)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 155106-73-3
CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,3-benzothiazole
OPENEYE Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4
Structure:
CAS RN: 109672-71-1
CAS Name: 2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
OPENEYE Name: 2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
IUPAC Name: 2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 2-fluoranyl-3-[2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C11H14FNO6
MOLECULAR WEIGHT: 275.230363
SMILES: CNCC(C1=C(C(=CC=C1)O)F)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 109371-19-9
CAS Name: 4-methoxy-2,3,5-trimethylpyridine
OPENEYE Name: 4-methoxy-2,3,5-trimethyl-pyridine
IUPAC Name: 4-methoxy-2,3,5-trimethylpyridine
SYSTEMATIC NAME: 4-methoxy-2,3,5-trimethyl-pyridine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC1=CN=C(C(=C1OC)C)C
Structure:
CAS RN: 155054-42-5
CAS Name: 4-iodo-N-[2-(1-piperidinyl)ethyl]benzamide
OPENEYE Name: 4-iodo-N-[2-(1-piperidyl)ethyl]benzamide
IUPAC Name: 4-iodo-N-(2-piperidin-1-ylethyl)benzamide
SYSTEMATIC NAME: 4-iodanyl-N-(2-piperidin-1-ylethyl)benzamide
MOLECULAR FORMULA: C14H19IN2O
MOLECULAR WEIGHT: 358.21793
SMILES: C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I
Structure:
CAS RN: 109280-12-8
CAS Name: trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]ammonium iodide
OPENEYE Name: trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]ammonium iodide
IUPAC Name: trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[[(2S,5S)-2-methyl-3-oxidanylidene-1,3-oxathiolan-5-yl]methyl]azanium iodide
MOLECULAR FORMULA: C8H18INO2S
MOLECULAR WEIGHT: 319.20349
SMILES: C[C@H]1O[C@H](CS1=O)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 154824-77-8
CAS Name: (3S,4S)-1-[(4-fluoranylphenyl)methyl]-3-(4-phenyl-1-piperidinyl)-4-piperidinol
OPENEYE Name: (3S,4S)-1-[(4-fluoranylphenyl)methyl]-3-(4-phenyl-1-piperidyl)piperidin-4-ol
IUPAC Name: (3S,4S)-1-[(4-fluoranylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SYSTEMATIC NAME: (3S,4S)-1-[(4-fluoranylphenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
MOLECULAR FORMULA: C23H29FN2O
MOLECULAR WEIGHT: 367.490098
SMILES: C1CN(C[C@@H]([C@H]1O)N2CCC(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)[18F]
Structure:
CAS RN: 150131-78-5
CAS Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C13H21N5O2
MOLECULAR WEIGHT: 279.33814
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O
Structure:
CAS RN: 154652-83-2
CAS Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C13H21N5O2
MOLECULAR WEIGHT: 279.33814
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O
Structure:
CAS RN: 109138-11-6
CAS Name: 5-benzamido-4-oxo-2-(phenylmethyl)pentanoic acid
OPENEYE Name: 5-benzamido-2-benzyl-4-oxo-pentanoic acid
IUPAC Name: 5-benzamido-2-benzyl-4-oxopentanoic acid
SYSTEMATIC NAME: 5-benzamido-4-oxidanylidene-2-(phenylmethyl)pentanoic acid
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: C1=CC=C(C=C1)CC(CC(=O)CNC(=O)C2=CC=CC=C2)C(=O)O
Structure:
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