Monday, August 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-iodothiophene
CAS Name: 2-iodothiophene
IUPAC NAME: 2-iodothiophene
SYSTEMATIC NAME: 2-iodanylthiophene
MOLECULAR FORMULA: C4H3IS
MOLECULAR WEIGHT: 210.03609
SMILES: C1=CSC(=C1)I
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Product OPENEYE NAME: 4-methylpyrimidine
CAS Name: 4-methylpyrimidine
IUPAC NAME: 4-methylpyrimidine
SYSTEMATIC NAME: 4-methylpyrimidine
MOLECULAR FORMULA: C5H6N2
MOLECULAR WEIGHT: 94.11454
SMILES: CC1=NC=NC=C1
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Product OPENEYE NAME: 4-phenylpyrimidine
CAS Name: 4-phenylpyrimidine
IUPAC NAME: 4-phenylpyrimidine
SYSTEMATIC NAME: 4-phenylpyrimidine
MOLECULAR FORMULA: C10H8N2
MOLECULAR WEIGHT: 156.18392
SMILES: C1=CC=C(C=C1)C2=NC=NC=C2
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Product OPENEYE NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone hydrochloride
CAS Name: 1-[3-methoxy-4-[4-(4-phenyl-1-piperazinyl)butoxy]phenyl]ethanone hydrochloride
IUPAC NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone hydrochloride
MOLECULAR FORMULA: C23H31ClN2O3
MOLECULAR WEIGHT: 418.95684
SMILES: CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=C3)OC.Cl
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Product OPENEYE NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CAS Name: 1-[3-methoxy-4-[4-(4-phenyl-1-piperazinyl)butoxy]phenyl]ethanone
IUPAC NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
MOLECULAR FORMULA: C23H30N2O3
MOLECULAR WEIGHT: 382.4959
SMILES: CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=C3)OC
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Product OPENEYE NAME: 4,6-dichloro-N-ethyl-1,3,5-triazin-2-amine
CAS Name: 4,6-dichloro-N-ethyl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dichloro-N-ethyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-ethyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C5H6Cl2N4
MOLECULAR WEIGHT: 193.03394
SMILES: CCNC1=NC(=NC(=N1)Cl)Cl
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Product OPENEYE NAME: tetrapropylplumbane
CAS Name: tetrapropylplumbane
IUPAC NAME: tetrapropylplumbane
SYSTEMATIC NAME: tetrapropylplumbane
MOLECULAR FORMULA: C12H28Pb
MOLECULAR WEIGHT: 379.55072
SMILES: CCC[Pb](CCC)(CCC)CCC
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Product OPENEYE NAME: [2-(2-methoxyphenoxy)ethylamino]ammonium chloride
CAS Name: [2-(2-methoxyphenoxy)ethylamino]ammonium chloride
IUPAC NAME: [2-(2-methoxyphenoxy)ethylamino]azanium chloride
SYSTEMATIC NAME: [2-(2-methoxyphenoxy)ethylamino]azanium chloride
MOLECULAR FORMULA: C9H15ClN2O2
MOLECULAR WEIGHT: 218.6806
SMILES: COC1=CC=CC=C1OCCN[NH3+].[Cl-]
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Product OPENEYE NAME: 2-(2-methoxyphenoxy)ethylhydrazine
CAS Name: 2-(2-methoxyphenoxy)ethylhydrazine
IUPAC NAME: 2-(2-methoxyphenoxy)ethylhydrazine
SYSTEMATIC NAME: 2-(2-methoxyphenoxy)ethyldiazane
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: COC1=CC=CC=C1OCCNN
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Product OPENEYE NAME: 2-methylpyrene
CAS Name: 2-methylpyrene
IUPAC NAME: 2-methylpyrene
SYSTEMATIC NAME: 2-methylpyrene
MOLECULAR FORMULA: C17H12
MOLECULAR WEIGHT: 216.27718
SMILES: CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2
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Product OPENEYE NAME: [2-(2-chloroethyl)-4-oxo-2,3-dihydro-1,3-benzoxazin-6-yl]ammonium chloride
CAS Name: [2-(2-chloroethyl)-4-oxo-2,3-dihydro-1,3-benzoxazin-6-yl]ammonium chloride
IUPAC NAME: [2-(2-chloroethyl)-4-oxo-2,3-dihydro-1,3-benzoxazin-6-yl]azanium chloride
SYSTEMATIC NAME: [2-(2-chloroethyl)-4-oxidanylidene-2,3-dihydro-1,3-benzoxazin-6-yl]azanium chloride
MOLECULAR FORMULA: C10H12Cl2N2O2
MOLECULAR WEIGHT: 263.12048
SMILES: C1=CC2=C(C=C1[NH3+])C(=O)NC(O2)CCCl.[Cl-]
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Product OPENEYE NAME: 6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
CAS Name: 6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
IUPAC NAME: 6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 6-azanyl-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1=CC2=C(C=C1N)C(=O)NC(O2)CCCl
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Product OPENEYE NAME: 2-(4-isopropylphenyl)propan-2-ol
CAS Name: 2-(4-propan-2-ylphenyl)-2-propanol
IUPAC NAME: 2-(4-propan-2-ylphenyl)propan-2-ol
SYSTEMATIC NAME: 2-(4-propan-2-ylphenyl)propan-2-ol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC(C)C1=CC=C(C=C1)C(C)(C)O
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Product OPENEYE NAME: icos-1-ene
CAS Name: 1-eicosene
IUPAC NAME: icos-1-ene
SYSTEMATIC NAME: icos-1-ene
MOLECULAR FORMULA: C20H40
MOLECULAR WEIGHT: 280.5316
SMILES: CCCCCCCCCCCCCCCCCCC=C
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