CAS RN: 5148-23-2
CAS Name: 5-pentyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-pentyl-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-pentyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-pentyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CCCCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5136-97-0
CAS Name: 2-(2-aminoethyl)phenol hydrochloride
OPENEYE Name: 2-(2-aminoethyl)phenol hydrochloride
IUPAC Name: 2-(2-aminoethyl)phenol hydrochloride
SYSTEMATIC NAME: 2-(2-azanylethyl)phenol hydrochloride
MOLECULAR FORMULA: C8H12ClNO
MOLECULAR WEIGHT: 173.63998
SMILES: C1=CC=C(C(=C1)CCN)O.Cl
Structure:
CAS RN: 5135-94-4
CAS Name: 7-[2-hydroxy-3-(4-morpholinyl)propyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-(2-hydroxy-3-morpholino-propyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-(2-hydroxy-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-(3-morpholin-4-yl-2-oxidanyl-propyl)purine-2,6-dione
MOLECULAR FORMULA: C14H21N5O4
MOLECULAR WEIGHT: 323.34764
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCOCC3)O
Structure:
CAS RN: 5135-92-2
CAS Name: 7-[2-hydroxy-3-(1-pyrrolidinyl)propyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-(2-hydroxy-3-pyrrolidin-1-yl-propyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)purine-2,6-dione
MOLECULAR FORMULA: C14H21N5O3
MOLECULAR WEIGHT: 307.34824
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCC3)O
Structure:
CAS RN: 5123-98-8
CAS Name: 3-propan-2-yl-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-isopropyloxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-propan-2-yloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-propan-2-yl-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C5H10ClN3O
MOLECULAR WEIGHT: 163.6054
SMILES: CC(C)[N+]1=NOC(=C1)N.[Cl-]
Structure:
CAS RN: 5117-85-1
CAS Name: 1-hydroxy-1-cyclopentanecarbonitrile
OPENEYE Name: 1-hydroxycyclopentanecarbonitrile
IUPAC Name: 1-hydroxycyclopentane-1-carbonitrile
SYSTEMATIC NAME: 1-oxidanylcyclopentane-1-carbonitrile
MOLECULAR FORMULA: C6H9NO
MOLECULAR WEIGHT: 111.14176
SMILES: C1CCC(C1)(C#N)O
Structure:
CAS RN: 5112-73-2
CAS Name: 2-(3-trimethylsilylphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(3-trimethylsilylphenyl)ethanamine hydrochloride
IUPAC Name: 2-(3-trimethylsilylphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(3-trimethylsilylphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C11H20ClNSi
MOLECULAR WEIGHT: 229.8217
SMILES: C[Si](C)(C)C1=CC=CC(=C1)CCN.Cl
Structure:
CAS RN: 5112-72-1
CAS Name: 2-(2-trimethylsilylphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(2-trimethylsilylphenyl)ethanamine hydrochloride
IUPAC Name: 2-(2-trimethylsilylphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(2-trimethylsilylphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C11H20ClNSi
MOLECULAR WEIGHT: 229.8217
SMILES: C[Si](C)(C)C1=CC=CC=C1CCN.Cl
Structure:
CAS RN: 5108-51-0
CAS Name: (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)methanamine
OPENEYE Name: (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)methanamine
IUPAC Name: (1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)methanamine
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]methanamine
MOLECULAR FORMULA: C8H9N3O2S
MOLECULAR WEIGHT: 211.24096
SMILES: C1=CC=C2C(=C1)NC(=NS2(=O)=O)CN
Structure:
CAS RN: 5105-63-5
CAS Name: 2-amino-N-(1-cyanoethyl)-4-methylpentanamide
OPENEYE Name: 2-amino-N-(1-cyanoethyl)-4-methyl-pentanamide
IUPAC Name: 2-amino-N-(1-cyanoethyl)-4-methylpentanamide
SYSTEMATIC NAME: 2-azanyl-N-(1-cyanoethyl)-4-methyl-pentanamide
MOLECULAR FORMULA: C9H17N3O
MOLECULAR WEIGHT: 183.25078
SMILES: CC(C)CC(C(=O)NC(C)C#N)N
Structure:
CAS RN: 5100-91-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2O2
MOLECULAR WEIGHT: 286.2842
SMILES: C1=CC=C2C(=C1)C3=C(C4=C(N3)C5=C(C=C4)C=NC=C5)OC2=O
Structure:
CAS RN: 5099-78-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: C1CN(C2CC3=C(C1(C2)C4=CC=CC=C4)C=C(C=C3)O)C(=O)N
Structure:
CAS RN: 5099-52-5
CAS Name: trimethyl-[2-[oxo(3-pyridinyl)methoxy]ethyl]ammonium iodide
OPENEYE Name: trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]ammonium iodide
IUPAC Name: trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium iodide
SYSTEMATIC NAME: trimethyl(2-pyridin-3-ylcarbonyloxyethyl)azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: C[N+](C)(C)CCOC(=O)C1=CN=CC=C1.[I-]
Structure:
CAS RN: 5099-51-4
CAS Name: trimethyl-[2-[oxo(3-pyridinyl)methoxy]ethyl]ammonium chloride
OPENEYE Name: trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]ammonium chloride
IUPAC Name: trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium chloride
SYSTEMATIC NAME: trimethyl(2-pyridin-3-ylcarbonyloxyethyl)azanium chloride
MOLECULAR FORMULA: C11H17ClN2O2
MOLECULAR WEIGHT: 244.71788
SMILES: C[N+](C)(C)CCOC(=O)C1=CN=CC=C1.[Cl-]
Structure:
CAS RN: 5096-72-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N2O3
MOLECULAR WEIGHT: 364.43756
SMILES: CO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76
Structure:
CAS RN: 5096-28-6
CAS Name: 7-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-(dibenzylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C24H27N5O3
MOLECULAR WEIGHT: 433.50288
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O
Structure:
CAS RN: 5096-27-5
CAS Name: 7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-(diallylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-[bis(prop-2-enyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C16H23N5O3
MOLECULAR WEIGHT: 333.38552
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(CC=C)CC=C)O
Structure:
CAS RN: 5096-26-4
CAS Name: 7-[3-(dipropylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-(dipropylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-(dipropylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-(dipropylamino)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C16H27N5O3
MOLECULAR WEIGHT: 337.41728
SMILES: CCCN(CCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
Structure:
CAS RN: 5096-25-3
CAS Name: 7-[3-(diethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-(diethylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-(diethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-(diethylamino)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C14H23N5O3
MOLECULAR WEIGHT: 309.36412
SMILES: CCN(CC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
Structure:
CAS RN: 5096-24-2
CAS Name: 3-ethyl-6-methyl-2,3-dihydro-1H-cyclopenta[a]anthracene
OPENEYE Name: 3-ethyl-6-methyl-2,3-dihydro-1H-cyclopenta[a]anthracene
IUPAC Name: 3-ethyl-6-methyl-2,3-dihydro-1H-cyclopenta[a]anthracene
SYSTEMATIC NAME: 3-ethyl-6-methyl-2,3-dihydro-1H-cyclopenta[a]anthracene
MOLECULAR FORMULA: C20H20
MOLECULAR WEIGHT: 260.3728
SMILES: CCC1CCC2=C1C=CC3=C(C4=CC=CC=C4C=C23)C
Structure:
CAS RN: 5096-12-8
CAS Name: 1-[1-(phenylmethyl)-3-pyridin-1-iumyl]ethanone chloride
OPENEYE Name: 1-(1-benzylpyridin-1-ium-3-yl)ethanone chloride
IUPAC Name: 1-(1-benzylpyridin-1-ium-3-yl)ethanone chloride
SYSTEMATIC NAME: 1-[1-(phenylmethyl)pyridin-1-ium-3-yl]ethanone chloride
MOLECULAR FORMULA: C14H14ClNO
MOLECULAR WEIGHT: 247.72006
SMILES: CC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]
Structure:
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