Wednesday, February 29, 2012

http://ChemLookup.com Compounds




CAS RN: 62232-58-0
CAS Name: N,N-dimethyl-4-[2-(phenylthio)phenoxy]-1-butanamine hydrochloride
OPENEYE Name: N,N-dimethyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride
IUPAC Name: N,N-dimethyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride
MOLECULAR FORMULA: C18H24ClNOS
MOLECULAR WEIGHT: 337.90726
SMILES: CN(C)CCCCOC1=CC=CC=C1SC2=CC=CC=C2.Cl
Structure:

CAS RN: 62209-57-8
CAS Name: N,N-bis[[azidomethyl(nitro)amino]methyl]nitramide
OPENEYE Name: N,N-bis[[azidomethyl(nitro)amino]methyl]nitramide
IUPAC Name: N,N-bis[[azidomethyl(nitro)amino]methyl]nitramide
SYSTEMATIC NAME: N,N-bis[[azidomethyl(nitro)amino]methyl]nitramide
MOLECULAR FORMULA: C4H8N12O6
MOLECULAR WEIGHT: 320.18312
SMILES: C(N=[N+]=[N-])N(CN(CN(CN=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 62209-52-3
CAS Name: potassium nitro(2-pyridinyl)azanide
OPENEYE Name: potassium nitro(2-pyridyl)azanide
IUPAC Name: potassium nitro(pyridin-2-yl)azanide
SYSTEMATIC NAME: potassium nitro(pyridin-2-yl)azanide
MOLECULAR FORMULA: C5H4KN3O2
MOLECULAR WEIGHT: 177.20246
SMILES: C1=CC=NC(=C1)[N-][N+](=O)[O-].[K+]
Structure:

CAS RN: 62209-22-7
CAS Name: 1-[(2S)-1,1-dimethyl-2-pyrrolidin-1-iumyl]-3-[(2R)-1,1-dimethyl-2-pyrrolidin-1-iumyl]-2-propanone diiodide
OPENEYE Name: 1-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-3-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]propan-2-one diiodide
IUPAC Name: 1-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-3-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]propan-2-one diiodide
SYSTEMATIC NAME: 1-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]-3-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]propan-2-one diiodide
MOLECULAR FORMULA: C15H30I2N2O
MOLECULAR WEIGHT: 508.22044
SMILES: C[N+]1(CCC[C@@H]1CC(=O)C[C@@H]2CCC[N+]2(C)C)C.[I-].[I-]
Structure:

CAS RN: 62208-86-0
CAS Name: 3-chloro-5-hydroxy-2-phenyl-4-pyrazolo[3,4-d]pyrimidinimine
OPENEYE Name: 3-chloro-5-hydroxy-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine
IUPAC Name: 3-chloro-5-hydroxy-2-phenylpyrazolo[3,4-d]pyrimidin-4-imine
SYSTEMATIC NAME: 3-chloranyl-5-oxidanyl-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine
MOLECULAR FORMULA: C11H8ClN5O
MOLECULAR WEIGHT: 261.66712
SMILES: C1=CC=C(C=C1)N2C(=C3C(=N)N(C=NC3=N2)O)Cl
Structure:

CAS RN: 62208-85-9
CAS Name: 3-chloro-2-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: 3-chloro-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: 3-chloro-2-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: 3-chloranyl-2-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C11H8ClN5
MOLECULAR WEIGHT: 245.66772
SMILES: C1=CC=C(C=C1)N2C(=C3C(=NC=NC3=N2)N)Cl
Structure:

CAS RN: 62208-80-4
CAS Name: 3-chloro-5-oxido-2-phenylpyrazolo[3,4-d]pyrimidin-5-ium
OPENEYE Name: 3-chloro-5-oxido-2-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium
IUPAC Name: 3-chloro-5-oxido-2-phenylpyrazolo[3,4-d]pyrimidin-5-ium
SYSTEMATIC NAME: 3-chloranyl-5-oxidanidyl-2-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium
MOLECULAR FORMULA: C11H7ClN4O
MOLECULAR WEIGHT: 246.65248
SMILES: C1=CC=C(C=C1)N2C(=C3C=[N+](C=NC3=N2)[O-])Cl
Structure:

CAS RN: 62208-79-1
CAS Name: 3-chloro-2-phenylpyrazolo[3,4-d]pyrimidine
OPENEYE Name: 3-chloro-2-phenyl-pyrazolo[3,4-d]pyrimidine
IUPAC Name: 3-chloro-2-phenylpyrazolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 3-chloranyl-2-phenyl-pyrazolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C11H7ClN4
MOLECULAR WEIGHT: 230.65308
SMILES: C1=CC=C(C=C1)N2C(=C3C=NC=NC3=N2)Cl
Structure:

CAS RN: 62208-78-0
CAS Name: N'-(5-chloro-4-formyl-1-phenyl-3-pyrazolyl)-N,N-dimethylmethanimidamide
OPENEYE Name: N'-(5-chloro-4-formyl-1-phenyl-pyrazol-3-yl)-N,N-dimethyl-formamidine
IUPAC Name: N'-(5-chloro-4-formyl-1-phenylpyrazol-3-yl)-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-(5-chloranyl-4-methanoyl-1-phenyl-pyrazol-3-yl)-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H13ClN4O
MOLECULAR WEIGHT: 276.72152
SMILES: CN(C)C=NC1=NN(C(=C1C=O)Cl)C2=CC=CC=C2
Structure:

CAS RN: 62206-30-8
CAS Name: 8-methyl-10,11-dihydro-9H-pyrimido[1,2-a]perimidine
OPENEYE Name: 8-methyl-10,11-dihydro-9H-pyrimido[1,2-a]perimidine
IUPAC Name: 8-methyl-10,11-dihydro-9H-pyrimido[1,2-a]perimidine
SYSTEMATIC NAME: 8-methyl-10,11-dihydro-9H-pyrimido[1,2-a]perimidine
MOLECULAR FORMULA: C15H15N3
MOLECULAR WEIGHT: 237.2997
SMILES: CN1CCCN2C1=NC3=CC=CC4=C3C2=CC=C4
Structure:

CAS RN: 62206-28-4
CAS Name: N-(2-chlorophenyl)-1-methyl-2-perimidinamine
OPENEYE Name: N-(2-chlorophenyl)-1-methyl-perimidin-2-amine
IUPAC Name: N-(2-chlorophenyl)-1-methylperimidin-2-amine
SYSTEMATIC NAME: N-(2-chlorophenyl)-1-methyl-perimidin-2-amine
MOLECULAR FORMULA: C18H14ClN3
MOLECULAR WEIGHT: 307.77686
SMILES: CN1C2=CC=CC3=C2C(=CC=C3)N=C1NC4=CC=CC=C4Cl
Structure:

CAS RN: 62206-27-3
CAS Name: N-(3,4-dimethoxyphenyl)-1-methyl-2-perimidinamine
OPENEYE Name: N-(3,4-dimethoxyphenyl)-1-methyl-perimidin-2-amine
IUPAC Name: N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine
SYSTEMATIC NAME: N-(3,4-dimethoxyphenyl)-1-methyl-perimidin-2-amine
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CN1C2=CC=CC3=C2C(=CC=C3)N=C1NC4=CC(=C(C=C4)OC)OC
Structure:

CAS RN: 62206-26-2
CAS Name: 1-methyl-N-phenyl-2-perimidinamine
OPENEYE Name: 1-methyl-N-phenyl-perimidin-2-amine
IUPAC Name: 1-methyl-N-phenylperimidin-2-amine
SYSTEMATIC NAME: 1-methyl-N-phenyl-perimidin-2-amine
MOLECULAR FORMULA: C18H15N3
MOLECULAR WEIGHT: 273.3318
SMILES: CN1C2=CC=CC3=C2C(=CC=C3)N=C1NC4=CC=CC=C4
Structure:

CAS RN: 62206-25-1
CAS Name: 1-methyl-N-(phenylmethyl)-2-perimidinamine
OPENEYE Name: N-benzyl-1-methyl-perimidin-2-amine
IUPAC Name: N-benzyl-1-methylperimidin-2-amine
SYSTEMATIC NAME: 1-methyl-N-(phenylmethyl)perimidin-2-amine
MOLECULAR FORMULA: C19H17N3
MOLECULAR WEIGHT: 287.35838
SMILES: CN1C2=CC=CC3=C2C(=CC=C3)N=C1NCC4=CC=CC=C4
Structure:

CAS RN: 62206-24-0
CAS Name: 1-phenyl-2-perimidinamine
OPENEYE Name: 1-phenylperimidin-2-amine
IUPAC Name: 1-phenylperimidin-2-amine
SYSTEMATIC NAME: 1-phenylperimidin-2-amine
MOLECULAR FORMULA: C17H13N3
MOLECULAR WEIGHT: 259.30522
SMILES: C1=CC=C(C=C1)N2C3=CC=CC4=C3C(=CC=C4)N=C2N
Structure:

CAS RN: 62205-86-1
CAS Name: 1-methyl-N-(1-phenylpropan-2-yl)-2-perimidinamine
OPENEYE Name: 1-methyl-N-(1-methyl-2-phenyl-ethyl)perimidin-2-amine
IUPAC Name: 1-methyl-N-(1-phenylpropan-2-yl)perimidin-2-amine
SYSTEMATIC NAME: 1-methyl-N-(1-phenylpropan-2-yl)perimidin-2-amine
MOLECULAR FORMULA: C21H21N3
MOLECULAR WEIGHT: 315.41154
SMILES: CC(CC1=CC=CC=C1)NC2=NC3=CC=CC4=C3C(=CC=C4)N2C
Structure:

CAS RN: 62159-89-1
CAS Name: 7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: 7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: 7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C16H14ClN3O4
MOLECULAR WEIGHT: 347.75306
SMILES: COC1(C2=C(C=CC(=C2)Cl)NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3
Structure:

CAS RN: 62159-86-8
CAS Name: 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C16H14N4O6
MOLECULAR WEIGHT: 358.30556
SMILES: COC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3
Structure:

CAS RN: 62154-03-4
CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N'-(4-methylphenyl)sulfonyloxamide
OPENEYE Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-N'-(p-tolylsulfonyl)oxamide
IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N'-(4-methylphenyl)sulfonyloxamide
SYSTEMATIC NAME: N'-(4-methylphenyl)sulfonyl-N-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanediamide
MOLECULAR FORMULA: C18H19N3O8S
MOLECULAR WEIGHT: 437.42376
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O
Structure:

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