Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-cyano-1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-cyano-1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-cyano-1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-cyano-1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C14H20N8S
MOLECULAR WEIGHT: 332.4272
SMILES: CC1=C(N=CN1)CSCCN(CCC2=CN=CN2)C(=NC#N)N
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Product OPENEYE NAME: (Z)-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (Z)-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (Z)-1-N-[4-(1H-imidazol-5-yl)butyl]-2-nitro-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (Z)-N1-[4-(1H-imidazol-5-yl)butyl]-2-nitro-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C11H16F3N5O2
MOLECULAR WEIGHT: 307.27225
SMILES: C1=C(NC=N1)CCCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F
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Product OPENEYE NAME: 1-cyano-1-[2-(isothiazol-3-ylmethylsulfanyl)ethyl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-cyano-1-[2-(3-isothiazolylmethylthio)ethyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-cyano-1-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-cyano-1-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C10H12F3N5S2
MOLECULAR WEIGHT: 323.36099
SMILES: C1=CSN=C1CSCCN(C#N)C(=NCC(F)(F)F)N
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Product OPENEYE NAME: (E)-N1-[2-[(4-methyloxazol-5-yl)methylsulfanyl]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-N1-[2-[(4-methyl-5-oxazolyl)methylthio]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-1-N-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-N1-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethyl]-2-nitro-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C11H15F3N4O3S
MOLECULAR WEIGHT: 340.32201
SMILES: CC1=C(OC=N1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F
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Product OPENEYE NAME: 1-(dimethylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
CAS Name: 1-(dimethylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]thiourea
IUPAC NAME: 1-(dimethylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-(dimethylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C10H19N5S2
MOLECULAR WEIGHT: 273.42136
SMILES: CC1=C(N=CN1)CSCCNC(=S)NN(C)C
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Product OPENEYE NAME: (E)-2-nitro-N1-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-2-nitro-N1-[2-(1,3,4-thiadiazol-2-ylmethylthio)ethyl]-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-2-nitro-1-N-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-2-nitro-N1-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C9H12F3N5O2S2
MOLECULAR WEIGHT: 343.34909
SMILES: C1=NN=C(S1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F
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Product OPENEYE NAME: 1-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylsulfanyl]urea
CAS Name: 1-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylthio]urea
IUPAC NAME: 1-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylsulfanyl]urea
SYSTEMATIC NAME: 1-(methylamino)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylsulfanyl]urea
MOLECULAR FORMULA: C9H17N5OS2
MOLECULAR WEIGHT: 275.39418
SMILES: CC1=C(N=CN1)CSCCSNC(=O)NNC
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Product OPENEYE NAME: N-[(Z)-1-hydrazino-2-nitro-vinyl]-4-(1H-imidazol-5-yl)butan-1-amine
CAS Name: N-[(Z)-1-hydrazinyl-2-nitroethenyl]-4-(1H-imidazol-5-yl)-1-butanamine
IUPAC NAME: N-[(Z)-1-hydrazinyl-2-nitroethenyl]-4-(1H-imidazol-5-yl)butan-1-amine
SYSTEMATIC NAME: N-[(Z)-1-diazanyl-2-nitro-ethenyl]-4-(1H-imidazol-5-yl)butan-1-amine
MOLECULAR FORMULA: C9H16N6O2
MOLECULAR WEIGHT: 240.26234
SMILES: C1=C(NC=N1)CCCCN/C(=C/[N+](=O)[O-])/NN
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Product OPENEYE NAME: 2-(10-aminodecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-(10-aminodecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-(10-aminodecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-(10-azanyldecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C19H35N7S
MOLECULAR WEIGHT: 393.5931
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCCCCCCCN)N
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Product OPENEYE NAME: (E)-N1-[2-(isoxazol-3-ylmethylsulfanyl)ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-N1-[2-(3-isoxazolylmethylthio)ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-2-nitro-1-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-2-nitro-N1-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C10H13F3N4O3S
MOLECULAR WEIGHT: 326.29543
SMILES: C1=CON=C1CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F
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Product OPENEYE NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(2-phenylethyl)guanidine
CAS Name: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-(2-phenylethyl)guanidine
IUPAC NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(2-phenylethyl)guanidine
SYSTEMATIC NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(2-phenylethyl)guanidine
MOLECULAR FORMULA: C17H22N6S
MOLECULAR WEIGHT: 342.46178
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCC2=CC=CC=C2)N
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Product OPENEYE NAME: 1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-1-cyano-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-1-cyano-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C12H13BrF3N5S
MOLECULAR WEIGHT: 396.22933
SMILES: C1=CC(=C(N=C1)CSCCN(C#N)C(=NCC(F)(F)F)N)Br
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Product OPENEYE NAME: 2-(7-aminoheptyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-(7-aminoheptyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-(7-aminoheptyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-(7-azanylheptyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C16H29N7S
MOLECULAR WEIGHT: 351.51336
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCCCCN)N
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Product OPENEYE NAME: 1-cyano-2-(2-hydroxyethyl)-1-[4-(1H-imidazol-5-yl)butyl]guanidine
CAS Name: 1-cyano-2-(2-hydroxyethyl)-1-[4-(1H-imidazol-5-yl)butyl]guanidine
IUPAC NAME: 1-cyano-2-(2-hydroxyethyl)-1-[4-(1H-imidazol-5-yl)butyl]guanidine
SYSTEMATIC NAME: 1-cyano-2-(2-hydroxyethyl)-1-[4-(1H-imidazol-5-yl)butyl]guanidine
MOLECULAR FORMULA: C11H18N6O
MOLECULAR WEIGHT: 250.30022
SMILES: C1=C(NC=N1)CCCCN(C#N)C(=NCCO)N
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Product OPENEYE NAME: butyl N-amino-N-methyl-carbamate
CAS Name: N-amino-N-methylcarbamic acid butyl ester
IUPAC NAME: butyl N-amino-N-methylcarbamate
SYSTEMATIC NAME: butyl N-azanyl-N-methyl-carbamate
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: CCCCOC(=O)N(C)N
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Product OPENEYE NAME: 1-cyano-2-[2-(methylamino)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 1-cyano-2-[2-(methylamino)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 1-cyano-2-[2-(methylamino)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 1-cyano-2-[2-(methylamino)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C12H21N7S
MOLECULAR WEIGHT: 295.40704
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCNC)N
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Product OPENEYE NAME: 1-amino-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
CAS Name: 1-amino-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]thiourea
IUPAC NAME: 1-amino-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C8H15N5S2
MOLECULAR WEIGHT: 245.3682
SMILES: CC1=C(N=CN1)CSCCNC(=S)NN
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Product OPENEYE NAME: 1-cyano-2-methyl-3-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxo-ethyl]sulfanylethyl]isothiourea
CAS Name: N-cyano-N'-[2-[[2-(5-methyl-1H-imidazol-4-yl)-2-oxoethyl]thio]ethyl]carbamimidothioic acid methyl ester
IUPAC NAME: methyl N-cyano-N'-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxoethyl]sulfanylethyl]carbamimidothioate
SYSTEMATIC NAME: methyl N-cyano-N'-[2-[2-(5-methyl-1H-imidazol-4-yl)-2-oxidanylidene-ethyl]sulfanylethyl]carbamimidothioate
MOLECULAR FORMULA: C11H15N5OS2
MOLECULAR WEIGHT: 297.3997
SMILES: CC1=C(N=CN1)C(=O)CSCCN=C(NC#N)SC
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Product OPENEYE NAME: 1-cyano-1-[2-[(4-methyloxazol-5-yl)methylsulfanyl]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-cyano-1-[2-[(4-methyl-5-oxazolyl)methylthio]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-cyano-1-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-cyano-1-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethyl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C11H14F3N5OS
MOLECULAR WEIGHT: 321.32197
SMILES: CC1=C(OC=N1)CSCCN(C#N)C(=NCC(F)(F)F)N
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Product OPENEYE NAME: 1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
CAS Name: 1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]thiourea
IUPAC NAME: 1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-[2-(1H-imidazol-5-yl)ethyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C13H20N6S2
MOLECULAR WEIGHT: 324.4681
SMILES: CC1=C(N=CN1)CSCCN(CCC2=CN=CN2)C(=S)N
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Product OPENEYE NAME: 2-(3-aminopropyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-(3-aminopropyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-(3-aminopropyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-(3-azanylpropyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C12H21N7S
MOLECULAR WEIGHT: 295.40704
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCCN)N
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Product OPENEYE NAME: 1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methyl-isothiourea
CAS Name: N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioic acid methyl ester
IUPAC NAME: methyl N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate
SYSTEMATIC NAME: methyl N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate
MOLECULAR FORMULA: C10H15N5S
MOLECULAR WEIGHT: 237.3246
SMILES: CSC(=NCCCCC1=CN=CN1)NC#N
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Product OPENEYE NAME: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-vinyl]butan-1-amine
CAS Name: 4-(1H-imidazol-5-yl)-N-[(E)-1-(methylthio)-2-nitroethenyl]-1-butanamine
IUPAC NAME: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitroethenyl]butan-1-amine
SYSTEMATIC NAME: 4-(1H-imidazol-5-yl)-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]butan-1-amine
MOLECULAR FORMULA: C10H16N4O2S
MOLECULAR WEIGHT: 256.32464
SMILES: CS/C(=C/[N+](=O)[O-])/NCCCCC1=CN=CN1
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Product OPENEYE NAME: 1-amino-3-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]thiourea
CAS Name: 1-amino-3-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]thiourea
IUPAC NAME: 1-amino-3-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C9H13ClN4S2
MOLECULAR WEIGHT: 276.80932
SMILES: C1=CC(=C(N=C1)CSCCNC(=S)NN)Cl
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