Tuesday, September 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1,1-dipentylhexylammonium iodide
CAS Name: 6-pentylundecan-6-ylammonium iodide
IUPAC NAME: 6-pentylundecan-6-ylazanium iodide
SYSTEMATIC NAME: 6-pentylundecan-6-ylazanium iodide
MOLECULAR FORMULA: C16H36IN
MOLECULAR WEIGHT: 369.36821
SMILES: CCCCCC(CCCCC)(CCCCC)[NH3+].[I-]
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Product OPENEYE NAME: 2-(guanidinomethyl)benzoic acid
CAS Name: 2-[(diaminomethylideneamino)methyl]benzoic acid
IUPAC NAME: 2-[(diaminomethylideneamino)methyl]benzoic acid
SYSTEMATIC NAME: 2-[[bis(azanyl)methylideneamino]methyl]benzoic acid
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: C1=CC=C(C(=C1)CN=C(N)N)C(=O)O
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Product OPENEYE NAME: ethyl 2-[[4-(guanidinomethyl)benzoyl]amino]benzoate hydrochloride
CAS Name: 2-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester hydrochloride
IUPAC NAME: ethyl 2-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]benzoate hydrochloride
SYSTEMATIC NAME: ethyl 2-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]benzoate hydrochloride
MOLECULAR FORMULA: C18H21ClN4O3
MOLECULAR WEIGHT: 376.83734
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N.Cl
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Product OPENEYE NAME: 4-(guanidinomethyl)-N-(2-methoxyphenyl)benzamide hydrochloride
CAS Name: 4-[(diaminomethylideneamino)methyl]-N-(2-methoxyphenyl)benzamide hydrochloride
IUPAC NAME: 4-[(diaminomethylideneamino)methyl]-N-(2-methoxyphenyl)benzamide hydrochloride
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(2-methoxyphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C16H19ClN4O2
MOLECULAR WEIGHT: 334.80066
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N.Cl
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Product OPENEYE NAME: 4-(guanidinomethyl)-N-(2-methoxyphenyl)benzamide
CAS Name: 4-[(diaminomethylideneamino)methyl]-N-(2-methoxyphenyl)benzamide
IUPAC NAME: 4-[(diaminomethylideneamino)methyl]-N-(2-methoxyphenyl)benzamide
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(2-methoxyphenyl)benzamide
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N
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Product OPENEYE NAME: 4-(guanidinomethyl)-N-(4-hydroxyphenyl)benzamide hydrochloride
CAS Name: 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide hydrochloride
IUPAC NAME: 4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide hydrochloride
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(4-hydroxyphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C15H17ClN4O2
MOLECULAR WEIGHT: 320.77408
SMILES: C1=CC(=CC=C1CN=C(N)N)C(=O)NC2=CC=C(C=C2)O.Cl
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Product OPENEYE NAME: methyl 2-[[4-(guanidinomethyl)benzoyl]amino]benzoate hydrochloride
CAS Name: 2-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester hydrochloride
IUPAC NAME: methyl 2-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]benzoate hydrochloride
SYSTEMATIC NAME: methyl 2-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]benzoate hydrochloride
MOLECULAR FORMULA: C17H19ClN4O3
MOLECULAR WEIGHT: 362.81076
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N.Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C186H183BrClFN34O15
MOLECULAR WEIGHT: 3269.017423
SMILES: CCCCCC1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)CNC(=N)N)C(=N)NCC3=CC=C(C=C3)C(=O)N(C4=CC=C(C=C4)C(=O)OC)C(=N)NCC5=CC=C(C=C5)C(=O)N(C6=CC=CC=C6OCC)C(=N)NCC7=CC=C(C=C7)C(=O)N(C8=CC=CC(=C8)CCCC)C(=N)NCC9=CC=C(C=C9)C(=O)N(C1=CC=CC=C1C)C(=N)NCC1=CC=C(C=C1)C(=O)N(C1=CC=
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Product OPENEYE NAME: 4-(guanidinomethyl)-N-(4-methoxyphenyl)benzamide hydrochloride
CAS Name: 4-[(diaminomethylideneamino)methyl]-N-(4-methoxyphenyl)benzamide hydrochloride
IUPAC NAME: 4-[(diaminomethylideneamino)methyl]-N-(4-methoxyphenyl)benzamide hydrochloride
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(4-methoxyphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C16H19ClN4O2
MOLECULAR WEIGHT: 334.80066
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN=C(N)N.Cl
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Product OPENEYE NAME: N-(4-tert-butylphenyl)-4-(guanidinomethyl)benzamide hydrochloride
CAS Name: N-(4-tert-butylphenyl)-4-[(diaminomethylideneamino)methyl]benzamide hydrochloride
IUPAC NAME: N-(4-tert-butylphenyl)-4-[(diaminomethylideneamino)methyl]benzamide hydrochloride
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(4-tert-butylphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C19H25ClN4O
MOLECULAR WEIGHT: 360.881
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN=C(N)N.Cl
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Product OPENEYE NAME: 4-guanidino-2-methyl-N-(p-tolyl)benzamide hydrochloride
CAS Name: 4-(diaminomethylideneamino)-2-methyl-N-(4-methylphenyl)benzamide hydrochloride
IUPAC NAME: 4-(diaminomethylideneamino)-2-methyl-N-(4-methylphenyl)benzamide hydrochloride
SYSTEMATIC NAME: 4-[bis(azanyl)methylideneamino]-2-methyl-N-(4-methylphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C16H19ClN4O
MOLECULAR WEIGHT: 318.80126
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)N=C(N)N)C.Cl
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Product OPENEYE NAME: 4-guanidino-2-methyl-N-(p-tolyl)benzamide
CAS Name: 4-(diaminomethylideneamino)-2-methyl-N-(4-methylphenyl)benzamide
IUPAC NAME: 4-(diaminomethylideneamino)-2-methyl-N-(4-methylphenyl)benzamide
SYSTEMATIC NAME: 4-[bis(azanyl)methylideneamino]-2-methyl-N-(4-methylphenyl)benzamide
MOLECULAR FORMULA: C16H18N4O
MOLECULAR WEIGHT: 282.34032
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)N=C(N)N)C
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-(guanidinomethyl)benzamide hydrochloride
CAS Name: N-(4-chlorophenyl)-4-[(diaminomethylideneamino)methyl]benzamide hydrochloride
IUPAC NAME: N-(4-chlorophenyl)-4-[(diaminomethylideneamino)methyl]benzamide hydrochloride
SYSTEMATIC NAME: 4-[[bis(azanyl)methylideneamino]methyl]-N-(4-chlorophenyl)benzamide hydrochloride
MOLECULAR FORMULA: C15H16Cl2N4O
MOLECULAR WEIGHT: 339.21974
SMILES: C1=CC(=CC=C1CN=C(N)N)C(=O)NC2=CC=C(C=C2)Cl.Cl
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Product OPENEYE NAME: 2-ethoxy-3-[[4-(guanidinomethyl)benzoyl]amino]benzoic acid hydrochloride
CAS Name: 3-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]-2-ethoxybenzoic acid hydrochloride
IUPAC NAME: 3-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]-2-ethoxybenzoic acid hydrochloride
SYSTEMATIC NAME: 3-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]-2-ethoxy-benzoic acid hydrochloride
MOLECULAR FORMULA: C18H21ClN4O4
MOLECULAR WEIGHT: 392.83674
SMILES: CCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N)C(=O)O.Cl
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Product OPENEYE NAME: 2-ethoxy-3-[[4-(guanidinomethyl)benzoyl]amino]benzoic acid
CAS Name: 3-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]-2-ethoxybenzoic acid
IUPAC NAME: 3-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]-2-ethoxybenzoic acid
SYSTEMATIC NAME: 3-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]-2-ethoxy-benzoic acid
MOLECULAR FORMULA: C18H20N4O4
MOLECULAR WEIGHT: 356.3758
SMILES: CCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N)C(=O)O
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Product OPENEYE NAME: 4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-5-oxo-pentanamide
CAS Name: 4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]-(2-amino-1-oxopropyl)amino]-5-oxopentanamide
IUPAC NAME: 4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-5-oxopentanamide
SYSTEMATIC NAME: 4-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl-(2-azanylpropanoyl)amino]-5-oxidanylidene-pentanamide
MOLECULAR FORMULA: C27H45N5O15
MOLECULAR WEIGHT: 679.6707
SMILES: CC(C(=O)N(C(CC(C=O)C1C(C(C(C(O1)CO)O)O)NC(=O)C)C(=O)N)C(=O)C(C)OC2C(C(OC(C2O)CO)O)NC(=O)C)N
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Product OPENEYE NAME: 2-[[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-propanoyl]-(2-aminopropanoyl)amino]-5-oxo-6-(1,1,2-triamino-2-oxo-ethyl)decanediamide
CAS Name: 2-[[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]-(2-amino-1-oxopropyl)amino]-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide
IUPAC NAME: 2-[[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]-(2-aminopropanoyl)amino]-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide
SYSTEMATIC NAME: 2-[[2-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxy-propanoyl]-(2-azanylpropanoyl)amino]-5-oxidanylidene-6-[1,1,2-tris(azanyl)-2-oxidanylidene-ethyl]decanediamide
MOLECULAR FORMULA: C34H59N9O17
MOLECULAR WEIGHT: 865.88236
SMILES: CC(C(=O)N(C(CCC(=O)C(CCCC(=O)N)C(C(=O)N)(N)N)C(=O)N)C(=O)C(C)(C1C(C(C(C(O1)CO)O)O)NC(=O)C)OC2C(C(OC(C2O)CO)O)NC(=O)C)N
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Product OPENEYE NAME: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[2-[3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxo-ethyl)decanediamide; 2-(2-amin
CAS Name: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[[2-[[3-amino-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]-(2-amino-1-oxopropyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide; 2-[(2-amino-1-oxopropy
IUPAC NAME: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[2-[3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide; 2-(2-aminopropanoylamino)propano
SYSTEMATIC NAME: 2-[2-[5-azanyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl-(2-azanylpropanoyl)amino]-6-[3-[ethanoyl(oxidanyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-7-oxidanyl-5-oxidanylidene-6-[1,1,2-tris(azanyl)-2-oxidanylidene-ethyl]decanedi
MOLECULAR FORMULA: C38H69N11O21
MOLECULAR WEIGHT: 1016.01556
SMILES: CC(C(=O)NC(C)C(=O)O)N.CC(C(=O)N(C(CCC(=O)C(C1C(C(C(C(O1)CO)O)O)N(C(=O)C)O)(C(CCC(=O)N)O)C(C(=O)N)(N)N)C(=O)N)C(=O)C(C)OC2C(C(OC(C2O)CO)O)N)N
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Product OPENEYE NAME: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[2-[3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxo-ethyl)decanediamide
CAS Name: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[[2-[[3-amino-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]-(2-amino-1-oxopropyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide
IUPAC NAME: 6-[3-[acetyl(hydroxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[2-[3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminopropanoyl)amino]-7-hydroxy-5-oxo-6-(1,1,2-triamino-2-oxoethyl)decanediamide
SYSTEMATIC NAME: 2-[2-[5-azanyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl-(2-azanylpropanoyl)amino]-6-[3-[ethanoyl(oxidanyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-7-oxidanyl-5-oxidanylidene-6-[1,1,2-tris(azanyl)-2-oxidanylidene-ethyl]decanedi
MOLECULAR FORMULA: C32H57N9O18
MOLECULAR WEIGHT: 855.84448
SMILES: CC(C(=O)N(C(CCC(=O)C(C1C(C(C(C(O1)CO)O)O)N(C(=O)C)O)(C(CCC(=O)N)O)C(C(=O)N)(N)N)C(=O)N)C(=O)C(C)OC2C(C(OC(C2O)CO)O)N)N
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Product OPENEYE NAME: 2-phenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Name: 2-phenyl-4-(trifluoromethyl)-3-pyridinecarboxylic acid
IUPAC NAME: 2-phenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-phenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H8F3NO2
MOLECULAR WEIGHT: 267.20333
SMILES: C1=CC=C(C=C1)C2=NC=CC(=C2C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CAS Name: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid
IUPAC NAME: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C15H12F3NO2
MOLECULAR WEIGHT: 295.25649
SMILES: CC1=NC(=C(C(=C1)C2=CC=CC=C2C(F)(F)F)C(=O)O)C
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Product OPENEYE NAME: 2-azido-2-methyl-propanedioate
CAS Name: 2-azido-2-methylpropanedioate
IUPAC NAME: 2-azido-2-methylpropanedioate
SYSTEMATIC NAME: 2-azido-2-methyl-propanedioate
MOLECULAR FORMULA: C4H3N3O4-2
MOLECULAR WEIGHT: 157.08432
SMILES: CC(C(=O)[O-])(C(=O)[O-])N=[N+]=[N-]
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Product OPENEYE NAME: 2-azido-2-methyl-propanedioic acid
CAS Name: 2-azido-2-methylpropanedioic acid
IUPAC NAME: 2-azido-2-methylpropanedioic acid
SYSTEMATIC NAME: 2-azido-2-methyl-propanedioic acid
MOLECULAR FORMULA: C4H5N3O4
MOLECULAR WEIGHT: 159.1002
SMILES: CC(C(=O)O)(C(=O)O)N=[N+]=[N-]
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