CAS RN: 173994-81-5
CAS Name: 1-decene; 1-dodecene
OPENEYE Name: dec-1-ene; dodec-1-ene
IUPAC Name: dec-1-ene; dodec-1-ene
SYSTEMATIC NAME: dec-1-ene; dodec-1-ene
MOLECULAR FORMULA: C22H44
MOLECULAR WEIGHT: 308.58476
SMILES: CCCCCCCCCCC=C.CCCCCCCCC=C
Structure:
CAS RN: 14518-27-5
CAS Name: potassium sodium hydrogen phosphate
OPENEYE Name: potassium sodium hydrogen phosphate
IUPAC Name: potassium sodium hydrogen phosphate
SYSTEMATIC NAME: potassium sodium hydrogen phosphate
MOLECULAR FORMULA: HKNaO4P
MOLECULAR WEIGHT: 158.067371
SMILES: OP(=O)([O-])[O-].[Na+].[K+]
Structure:
CAS RN: 20507-22-6
CAS Name: tributyl(hydroxymethyl)phosphonium chloride
OPENEYE Name: tributyl(hydroxymethyl)phosphonium chloride
IUPAC Name: tributyl(hydroxymethyl)phosphanium chloride
SYSTEMATIC NAME: tributyl(hydroxymethyl)phosphanium chloride
MOLECULAR FORMULA: C13H30ClOP
MOLECULAR WEIGHT: 268.803461
SMILES: CCCC[P+](CCCC)(CCCC)CO.[Cl-]
Structure:
CAS RN: 1190385-24-0
CAS Name: 1,2,4-trifluoro-3-iodobenzene
OPENEYE Name: 1,2,4-trifluoro-3-iodo-benzene
IUPAC Name: 1,2,4-trifluoro-3-iodobenzene
SYSTEMATIC NAME: 1,2,4-tris(fluoranyl)-3-iodanyl-benzene
MOLECULAR FORMULA: C6H2F3I
MOLECULAR WEIGHT: 257.97976
SMILES: C1=CC(=C(C(=C1F)F)I)F
Structure:
CAS RN: 76423-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O7
MOLECULAR WEIGHT: 518.68204
SMILES: CCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)O)O)C
Structure:
CAS RN: 53404-19-6
CAS Name: lithium 5-bromo-3-butan-2-yl-6-methylpyrimidin-1-ide-2,4-dione
OPENEYE Name: lithium 5-bromo-6-methyl-3-sec-butyl-pyrimidin-1-ide-2,4-dione
IUPAC Name: lithium 5-bromo-3-butan-2-yl-6-methylpyrimidin-1-ide-2,4-dione
SYSTEMATIC NAME: lithium 5-bromanyl-3-butan-2-yl-6-methyl-pyrimidin-1-ide-2,4-dione
MOLECULAR FORMULA: C9H12BrLiN2O2
MOLECULAR WEIGHT: 267.04878
SMILES: [Li+].CCC(C)N1C(=O)C(=C([N-]C1=O)C)Br
Structure:
CAS RN: 140163-89-9
CAS Name: [1-[ethoxy-(propylthio)phosphoryl]-3-ethyl-2-imidazolidinylidene]cyanamide
OPENEYE Name: [1-[ethoxy(propylsulfanyl)phosphoryl]-3-ethyl-imidazolidin-2-ylidene]cyanamide
IUPAC Name: [1-[ethoxy(propylsulfanyl)phosphoryl]-3-ethylimidazolidin-2-ylidene]cyanamide
SYSTEMATIC NAME: [1-[ethoxy(propylsulfanyl)phosphoryl]-3-ethyl-imidazolidin-2-ylidene]cyanamide
MOLECULAR FORMULA: C11H21N4O2PS
MOLECULAR WEIGHT: 304.348801
SMILES: CCCSP(=O)(N1CCN(C1=NC#N)CC)OCC
Structure:
CAS RN: 560121-52-0
CAS Name: 2,2-dimethylpropanoic acid [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethyl-3-pyrazolyl)ethenyl] ester
OPENEYE Name: [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)vinyl] 2,2-dimethylpropanoate
IUPAC Name: [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C24H31N3O2
MOLECULAR WEIGHT: 393.52184
SMILES: CC1=C(N(N=C1C)C)/C(=C(\C#N)/C2=CC=C(C=C2)C(C)(C)C)/OC(=O)C(C)(C)C
Structure:
CAS RN: 247057-22-3
CAS Name: ammonium 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylate
OPENEYE Name: ammonium 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylate
IUPAC Name: azanium 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: azanium 5-(methoxymethyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C15H22N4O4
MOLECULAR WEIGHT: 322.35958
SMILES: CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)[O-])COC)C.[NH4+]
Structure:
CAS RN: 149253-65-6
CAS Name: 2-[[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetic acid
OPENEYE Name: 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetic acid
IUPAC Name: 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-chloranyl-4-fluoranyl-5-[(3-oxidanylidene-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C14H13ClFN3O3S2
MOLECULAR WEIGHT: 389.852723
SMILES: C1CCN2C(=O)SC(=NC3=CC(=C(C=C3F)Cl)SCC(=O)O)N2C1
Structure:
CAS RN: 174212-12-5
CAS Name: (E)-2-butenedioic acid; [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-3-oxazolidinyl]-(1-imidazolyl)methanone
OPENEYE Name: [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-oxazolidin-3-yl]-imidazol-1-yl-methanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-yl-methanone
MOLECULAR FORMULA: C42H52Cl2N6O8
MOLECULAR WEIGHT: 839.80368
SMILES: CC1(COC(N1C(=O)N2C=CN=C2)(C)CCCC3=CC=C(C=C3)Cl)C.CC1(COC(N1C(=O)N2C=CN=C2)(C)CCCC3=CC=C(C=C3)Cl)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104040-79-1
CAS Name: 2-(2-aminoethoxy)ethanol; 3,6-dichloro-2-methoxybenzoic acid
OPENEYE Name: 2-(2-aminoethoxy)ethanol; 3,6-dichloro-2-methoxy-benzoic acid
IUPAC Name: 2-(2-aminoethoxy)ethanol; 3,6-dichloro-2-methoxybenzoic acid
SYSTEMATIC NAME: 2-(2-azanylethoxy)ethanol; 3,6-bis(chloranyl)-2-methoxy-benzoic acid
MOLECULAR FORMULA: C12H17Cl2NO5
MOLECULAR WEIGHT: 326.17308
SMILES: COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C(COCCO)N
Structure:
CAS RN: 188634-90-4
CAS Name: (2S)-2-[[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]-oxomethoxy]propanoic acid
OPENEYE Name: (2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
IUPAC Name: (2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]carbonyloxypropanoic acid
MOLECULAR FORMULA: C17H11Cl2F3O5
MOLECULAR WEIGHT: 423.16745
SMILES: C[C@@H](C(=O)O)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)Cl
Structure:
CAS RN: 131086-42-5
CAS Name: 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester
OPENEYE Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]benzoate
MOLECULAR FORMULA: C19H15Cl2F3O5
MOLECULAR WEIGHT: 451.22061
SMILES: CCOC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)Cl
Structure:
CAS RN: 188637-63-0
CAS Name: (6-bromo-2-pyridinyl)methanamine
OPENEYE Name: (6-bromo-2-pyridyl)methanamine
IUPAC Name: (6-bromopyridin-2-yl)methanamine
SYSTEMATIC NAME: (6-bromanylpyridin-2-yl)methanamine
MOLECULAR FORMULA: C6H7BrN2
MOLECULAR WEIGHT: 187.03718
SMILES: C1=CC(=NC(=C1)Br)CN
Structure:
CAS RN: 91912-53-7
CAS Name: 5-pyridin-4-yl-1H-pyrazol-3-amine
OPENEYE Name: 5-(4-pyridyl)-1H-pyrazol-3-amine
IUPAC Name: 5-pyridin-4-yl-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-pyridin-4-yl-1H-pyrazol-3-amine
MOLECULAR FORMULA: C8H8N4
MOLECULAR WEIGHT: 160.17592
SMILES: C1=CN=CC=C1C2=CC(=NN2)N
Structure:
CAS RN: 324002-49-5
CAS Name: 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione hydrochloride
OPENEYE Name: 5,6-diamino-1,3-dipropyl-pyrimidine-2,4-dione hydrochloride
IUPAC Name: 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 5,6-bis(azanyl)-1,3-dipropyl-pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C10H19ClN4O2
MOLECULAR WEIGHT: 262.73646
SMILES: CCCN1C(=C(C(=O)N(C1=O)CCC)N)N.Cl
Structure:
CAS RN: 128577-47-9
CAS Name: 4-(bromomethyl)-3-fluorobenzoic acid methyl ester
OPENEYE Name: methyl 4-(bromomethyl)-3-fluoro-benzoate
IUPAC Name: methyl 4-(bromomethyl)-3-fluorobenzoate
SYSTEMATIC NAME: methyl 4-(bromomethyl)-3-fluoranyl-benzoate
MOLECULAR FORMULA: C9H8BrFO2
MOLECULAR WEIGHT: 247.061023
SMILES: COC(=O)C1=CC(=C(C=C1)CBr)F
Structure:
CAS RN: 262614-68-6
CAS Name: 5-(dimethylamino)-2-hydroxy-3-methoxybenzaldehyde
OPENEYE Name: 5-(dimethylamino)-2-hydroxy-3-methoxy-benzaldehyde
IUPAC Name: 5-(dimethylamino)-2-hydroxy-3-methoxybenzaldehyde
SYSTEMATIC NAME: 5-(dimethylamino)-3-methoxy-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CN(C)C1=CC(=C(C(=C1)C=O)O)OC
Structure:
CAS RN: 170941-86-3
CAS Name: 2-(dimethylamino)butanoic acid
OPENEYE Name: 2-(dimethylamino)butanoic acid
IUPAC Name: 2-(dimethylamino)butanoic acid
SYSTEMATIC NAME: 2-(dimethylamino)butanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCC(C(=O)O)N(C)C
Structure:
CAS RN: 330784-47-9
CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide
OPENEYE Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H26ClN7O3
MOLECULAR WEIGHT: 483.95064
SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl
Structure:
CAS RN: 330785-17-6
CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide
OPENEYE Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H26ClN7O3
MOLECULAR WEIGHT: 483.95064
SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl
Structure:
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