Wednesday, August 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-carbamimidoyl-3-methyl-1-pyrrolidin-3-yl-urea
CAS Name: 1-carbamimidoyl-3-methyl-1-(3-pyrrolidinyl)urea
IUPAC NAME: 1-carbamimidoyl-3-methyl-1-pyrrolidin-3-ylurea
SYSTEMATIC NAME: 1-carbamimidoyl-3-methyl-1-pyrrolidin-3-yl-urea
MOLECULAR FORMULA: C7H15N5O
MOLECULAR WEIGHT: 185.2269
SMILES: CNC(=O)N(C1CCNC1)C(=N)N
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Product OPENEYE NAME: 3-(acetoxymethyl)-7-[[(2Z)-2-(2-amino-2H-oxazol-3-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-2H-oxazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-2H-1,3-oxazol-3-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(acetyloxymethyl)-7-[[(2Z)-2-(2-azanyl-2H-1,3-oxazol-3-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H19N5O8S
MOLECULAR WEIGHT: 441.41576
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC)/N3C=COC3N)SC1)C(=O)O
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Product OPENEYE NAME: ethyl (2E)-2-[2-[(2-chloroacetyl)amino]oxazol-4-yl]-2-methoxyimino-acetate
CAS Name: (2E)-2-[2-[(2-chloro-1-oxoethyl)amino]-4-oxazolyl]-2-methoxyiminoacetic acid ethyl ester
IUPAC NAME: ethyl (2E)-2-[2-[(2-chloroacetyl)amino]-1,3-oxazol-4-yl]-2-methoxyiminoacetate
SYSTEMATIC NAME: ethyl (2E)-2-[2-(2-chloranylethanoylamino)-1,3-oxazol-4-yl]-2-methoxyimino-ethanoate
MOLECULAR FORMULA: C10H12ClN3O5
MOLECULAR WEIGHT: 289.67238
SMILES: CCOC(=O)/C(=N/OC)/C1=COC(=N1)NC(=O)CCl
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Product OPENEYE NAME: 3-butylisothiazole
CAS Name: 3-butylisothiazole
IUPAC NAME: 3-butyl-1,2-thiazole
SYSTEMATIC NAME: 3-butyl-1,2-thiazole
MOLECULAR FORMULA: C7H11NS
MOLECULAR WEIGHT: 141.23394
SMILES: CCCCC1=NSC=C1
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Product OPENEYE NAME: 1-methoxy-4-[1-(4-methoxyphenyl)-2-phenyl-ethyl]benzene
CAS Name: 1-methoxy-4-[1-(4-methoxyphenyl)-2-phenylethyl]benzene
IUPAC NAME: 1-methoxy-4-[1-(4-methoxyphenyl)-2-phenylethyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[1-(4-methoxyphenyl)-2-phenyl-ethyl]benzene
MOLECULAR FORMULA: C22H22O2
MOLECULAR WEIGHT: 318.40888
SMILES: COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)acetamide; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-N-(3-methyl-1-pyridin-1-iumyl)acetamide; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: (2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)acetamide; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)ethanamide; 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C19H20N6O6S
MOLECULAR WEIGHT: 460.4637
SMILES: CC1=C[N+](=CC=C1)NC(=O)/C(=N/OC)/C2=COC(=N2)N.C1C=C(N2C(S1)CC2=O)C(=O)[O-]
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Product OPENEYE NAME: (2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)acetamide
CAS Name: (2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-N-(3-methyl-1-pyridin-1-iumyl)acetamide
IUPAC NAME: (2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: (2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-N-(3-methylpyridin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C12H14N5O3+
MOLECULAR WEIGHT: 276.27126
SMILES: CC1=C[N+](=CC=C1)NC(=O)/C(=N/OC)/C2=COC(=N2)N
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C13H12N5O6S-
MOLECULAR WEIGHT: 366.32928
SMILES: CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)[O-]
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H13N5O6S
MOLECULAR WEIGHT: 367.33722
SMILES: CO/N=C(\C1=COC(=N1)N)/C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O
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Product OPENEYE NAME: 3-methylpyridin-1-ium-1-amine; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-methyl-1-pyridin-1-iumamine; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-methylpyridin-1-ium-1-amine; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-methylpyridin-1-ium-1-amine; 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C13H15N3O3S
MOLECULAR WEIGHT: 293.3415
SMILES: CC1=C[N+](=CC=C1)N.C1C=C(N2C(S1)CC2=O)C(=O)[O-]
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Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C31H28N8O8S2
MOLECULAR WEIGHT: 704.73282
SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=COC(=N4)N)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
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