Tuesday, December 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-2-ethynyl-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C14H16N4O4
MOLECULAR WEIGHT: 304.30124
SMILES: C[C@]1([C@@H]([C@H](O[C@@]1(C#C)C2=CC=C3N2N=CN=C3N)CO)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2,3,4-triol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-2,3,4-triol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-2,3,4-triol
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CN=C3N2N=CN=C3N)O)CO)O)O
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Product OPENEYE NAME: 2-amino-7-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
CAS Name: 2-amino-7-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
IUPAC NAME: 2-amino-7-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
SYSTEMATIC NAME: 2-azanyl-7-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2,3,4-tris(oxidanyl)oxolan-2-yl]-1H-imidazo[2,1-f][1,2,4]triazin-4-one
MOLECULAR FORMULA: C11H15N5O6
MOLECULAR WEIGHT: 313.2667
SMILES: C[C@]1([C@@H]([C@H](O[C@]1(C2=CN=C3N2NC(=NC3=O)N)O)CO)O)O
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Product OPENEYE NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
IUPAC NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methoxy-oxolane-3,4-diol
MOLECULAR FORMULA: C12H16N4O5
MOLECULAR WEIGHT: 296.27924
SMILES: CO[C@@]1([C@@H]([C@@H]([C@H](O1)CO)O)O)C2=CC=C3N2N=CN=C3N
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
CAS Name: (2R,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanecarbonitrile
IUPAC NAME: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
MOLECULAR FORMULA: C12H13N5O4
MOLECULAR WEIGHT: 291.26272
SMILES: C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N
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Product OPENEYE NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C12H16N4O4
MOLECULAR WEIGHT: 280.27984
SMILES: C[C@@]1([C@@H]([C@@H]([C@H](O1)CO)O)O)C2=CC=C3N2N=CN=C3N
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Product OPENEYE NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H13N7O4
MOLECULAR WEIGHT: 307.26542
SMILES: C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-])N
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Product OPENEYE NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4S,5R)-2-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)-2-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H14N4O4
MOLECULAR WEIGHT: 290.27466
SMILES: C#C[C@@]1([C@@H]([C@@H]([C@H](O1)CO)O)O)C2=CC=C3N2N=CN=C3N
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Product OPENEYE NAME: 2,6-dibromo-4-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[5-[[4-(3-fluorophenyl)-1-piperazinyl]-oxomethyl]-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[5-[4-(3-fluorophenyl)piperazin-1-yl]carbonyl-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H15Br2FN4O3
MOLECULAR WEIGHT: 526.153803
SMILES: C1CN(CCN1C2=CC(=CC=C2)F)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Br)Br)NO3
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Product OPENEYE NAME: 2-[4-[5-(4-benzylpiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,6-dibromo-phenoxy]-N-tert-butoxy-acetamide
CAS Name: 2-[2,6-dibromo-4-[5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-[(2-methylpropan-2-yl)oxy]acetamide
IUPAC NAME: 2-[4-[5-(4-benzylpiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,6-dibromophenoxy]-N-[(2-methylpropan-2-yl)oxy]acetamide
SYSTEMATIC NAME: 2-[2,6-bis(bromanyl)-4-[5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1,2,4-oxadiazol-3-yl]phenoxy]-N-[(2-methylpropan-2-yl)oxy]ethanamide
MOLECULAR FORMULA: C27H30Br2N4O5
MOLECULAR WEIGHT: 650.3589
SMILES: CC(C)(C)ONC(=O)COC1=C(C=C(C=C1Br)C2=NOC(=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)Br
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