Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-ethyl-5-oxo-thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CAS Name: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-ethyl-5-oxo-7-thiazolo[3,2-a]pyrimidin-8-iumolate
IUPAC NAME: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SYSTEMATIC NAME: 6-ethyl-8-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
MOLECULAR FORMULA: C13H16N2O6S
MOLECULAR WEIGHT: 328.34094
SMILES: CCC1=C([N+](=C2N(C1=O)C=CS2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[O-]
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Product OPENEYE NAME: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-ethyl-7-hydroxy-thiazolo[3,2-a]pyrimidin-8-ium-5-one
CAS Name: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-ethyl-7-hydroxy-5-thiazolo[3,2-a]pyrimidin-8-iumone
IUPAC NAME: 8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
SYSTEMATIC NAME: 6-ethyl-8-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-oxidanyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
MOLECULAR FORMULA: C13H17N2O6S+
MOLECULAR WEIGHT: 329.34888
SMILES: CCC1=C([N+](=C2N(C1=O)C=CS2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]thieno[2,3-d]pyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H12N2O6S
MOLECULAR WEIGHT: 300.28778
SMILES: C1=CSC2=C1C(=O)NC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: 5-oxo-8-propyl-thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CAS Name: 5-oxo-8-propyl-7-thiazolo[3,2-a]pyrimidin-8-iumolate
IUPAC NAME: 5-oxo-8-propyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
SYSTEMATIC NAME: 5-oxidanylidene-8-propyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
MOLECULAR FORMULA: C9H10N2O2S
MOLECULAR WEIGHT: 210.2529
SMILES: CCC[N+]1=C2N(C=CS2)C(=O)C=C1[O-]
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Product OPENEYE NAME: 7-hydroxy-8-propyl-thiazolo[3,2-a]pyrimidin-8-ium-5-one
CAS Name: 7-hydroxy-8-propyl-5-thiazolo[3,2-a]pyrimidin-8-iumone
IUPAC NAME: 7-hydroxy-8-propyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
SYSTEMATIC NAME: 7-oxidanyl-8-propyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
MOLECULAR FORMULA: C9H11N2O2S+
MOLECULAR WEIGHT: 211.26084
SMILES: CCC[N+]1=C2N(C=CS2)C(=O)C=C1O
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Product OPENEYE NAME: N2,N6,3,5-tetramethyl-2H-1,3,5-oxadiazine-3,5-diium-2,6-diamine
CAS Name: N2,N6,3,5-tetramethyl-2H-1,3,5-oxadiazine-3,5-diium-2,6-diamine
IUPAC NAME: 2-N,6-N,3,5-tetramethyl-2H-1,3,5-oxadiazine-3,5-diium-2,6-diamine
SYSTEMATIC NAME: N2,N6,3,5-tetramethyl-2H-1,3,5-oxadiazine-3,5-diium-2,6-diamine
MOLECULAR FORMULA: C7H16N4O+2
MOLECULAR WEIGHT: 172.22814
SMILES: CNC1[N+](=C[N+](=C(O1)NC)C)C
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Product OPENEYE NAME: 1-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]ethanol
CAS Name: 1-phenyl-2-[(2R)-2-phenyl-1-pyrrolidinyl]ethanol
IUPAC NAME: 1-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]ethanol
SYSTEMATIC NAME: 1-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]ethanol
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: C1C[C@@H](N(C1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3
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Product OPENEYE NAME: 5,10,15,20-tetraethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
CAS Name: 5,10,15,20-tetraethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
IUPAC NAME: 5,10,15,20-tetraethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
SYSTEMATIC NAME: 5,10,15,20-tetraethyl-5,10,15,20,21,22,23,24-octahydroporphyrin
MOLECULAR FORMULA: C28H36N4
MOLECULAR WEIGHT: 428.61224
SMILES: CCC1C2=CC=C(N2)C(C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C1N5)CC)CC)CC
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Product OPENEYE NAME: 5,10,15,20-tetraisopropyl-5,10,15,20,21,22,23,24-octahydroporphyrin
CAS Name: 5,10,15,20-tetra(propan-2-yl)-5,10,15,20,21,22,23,24-octahydroporphyrin
IUPAC NAME: 5,10,15,20-tetra(propan-2-yl)-5,10,15,20,21,22,23,24-octahydroporphyrin
SYSTEMATIC NAME: 5,10,15,20-tetra(propan-2-yl)-5,10,15,20,21,22,23,24-octahydroporphyrin
MOLECULAR FORMULA: C32H44N4
MOLECULAR WEIGHT: 484.71856
SMILES: CC(C)C1C2=CC=C(N2)C(C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C1N5)C(C)C)C(C)C)C(C)C
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Product OPENEYE NAME: 5,10,15,20-tetrabenzyl-5,10,15,20,21,22,23,24-octahydroporphyrin
CAS Name: 5,10,15,20-tetrakis(phenylmethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
IUPAC NAME: 5,10,15,20-tetrabenzyl-5,10,15,20,21,22,23,24-octahydroporphyrin
SYSTEMATIC NAME: 5,10,15,20-tetrakis(phenylmethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
MOLECULAR FORMULA: C48H44N4
MOLECULAR WEIGHT: 676.88976
SMILES: C1=CC=C(C=C1)CC2C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C2N6)CC7=CC=CC=C7)CC8=CC=CC=C8)CC9=CC=CC=C9
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Product OPENEYE NAME: 5,10,15,20-tetra(undecyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
CAS Name: 5,10,15,20-tetra(undecyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
IUPAC NAME: 5,10,15,20-tetra(undecyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
SYSTEMATIC NAME: 5,10,15,20-tetra(undecyl)-5,10,15,20,21,22,23,24-octahydroporphyrin
MOLECULAR FORMULA: C64H108N4
MOLECULAR WEIGHT: 933.56912
SMILES: CCCCCCCCCCCC1C2=CC=C(N2)C(C3=CC=C(N3)C(C4=CC=C(N4)C(C5=CC=C1N5)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC
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Product OPENEYE NAME: (10Z,14Z,19Z)-5,10,15,20-tetraphenyl-5,21,22,23-tetrahydroporphyrin
CAS Name: (10Z,14Z,19Z)-5,10,15,20-tetraphenyl-5,21,22,23-tetrahydroporphyrin
IUPAC NAME: (10Z,14Z,19Z)-5,10,15,20-tetraphenyl-5,21,22,23-tetrahydroporphyrin
SYSTEMATIC NAME: (10Z,14Z,19Z)-5,10,15,20-tetraphenyl-5,21,22,23-tetrahydroporphyrin
MOLECULAR FORMULA: C44H32N4
MOLECULAR WEIGHT: 616.75168
SMILES: C1=CC=C(C=C1)C2C3=CC=C(N3)/C(=C\4/C=C/C(=C(/C5=N/C(=C(\C6=CC=C2N6)/C7=CC=CC=C7)/C=C5)\C8=CC=CC=C8)/N4)/C9=CC=CC=C9
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Product OPENEYE NAME: N-(2-methyl-4-nitroso-5-phenyl-pyrazol-3-yl)benzamide
CAS Name: N-(2-methyl-4-nitroso-5-phenyl-3-pyrazolyl)benzamide
IUPAC NAME: N-(2-methyl-4-nitroso-5-phenylpyrazol-3-yl)benzamide
SYSTEMATIC NAME: N-(2-methyl-4-nitroso-5-phenyl-pyrazol-3-yl)benzamide
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: CN1C(=C(C(=N1)C2=CC=CC=C2)N=O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (9-acetyl-6-acetylimino-1-methyl-purin-2-yl) acetate
CAS Name: acetic acid (9-acetyl-6-acetylimino-1-methyl-2-purinyl) ester
IUPAC NAME: (9-acetyl-6-acetylimino-1-methylpurin-2-yl) acetate
SYSTEMATIC NAME: (9-ethanoyl-6-ethanoylimino-1-methyl-purin-2-yl) ethanoate
MOLECULAR FORMULA: C12H13N5O4
MOLECULAR WEIGHT: 291.26272
SMILES: CC(=O)N=C1C2=C(N=C(N1C)OC(=O)C)N(C=N2)C(=O)C
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Product OPENEYE NAME: 9-acetyl-6-amino-1-methyl-purin-2-one
CAS Name: 9-acetyl-6-amino-1-methyl-2-purinone
IUPAC NAME: 9-acetyl-6-amino-1-methylpurin-2-one
SYSTEMATIC NAME: 6-azanyl-9-ethanoyl-1-methyl-purin-2-one
MOLECULAR FORMULA: C8H9N5O2
MOLECULAR WEIGHT: 207.18936
SMILES: CC(=O)N1C=NC2=C(N(C(=O)N=C21)C)N
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