Product OPENEYE NAME: N-(1-methyl-2-oxo-7H-purin-6-yl)acetamide
CAS Name: N-(1-methyl-2-oxo-7H-purin-6-yl)acetamide
IUPAC NAME: N-(1-methyl-2-oxo-7H-purin-6-yl)acetamide
SYSTEMATIC NAME: N-(1-methyl-2-oxidanylidene-7H-purin-6-yl)ethanamide
MOLECULAR FORMULA: C8H9N5O2
MOLECULAR WEIGHT: 207.18936
SMILES: CC(=O)NC1=C2C(=NC(=O)N1C)N=CN2
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Product OPENEYE NAME: (9-acetyl-6-imino-1-methyl-purin-2-yl) acetate
CAS Name: acetic acid (9-acetyl-6-imino-1-methyl-2-purinyl) ester
IUPAC NAME: (9-acetyl-6-imino-1-methylpurin-2-yl) acetate
SYSTEMATIC NAME: (6-azanylidene-9-ethanoyl-1-methyl-purin-2-yl) ethanoate
MOLECULAR FORMULA: C10H11N5O3
MOLECULAR WEIGHT: 249.22604
SMILES: CC(=O)N1C=NC2=C1N=C(N(C2=N)C)OC(=O)C
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Product OPENEYE NAME: N-(3-benzyl-1-methyl-2-oxo-purin-6-yl)acetamide
CAS Name: N-[1-methyl-2-oxo-3-(phenylmethyl)-6-purinyl]acetamide
IUPAC NAME: N-(3-benzyl-1-methyl-2-oxopurin-6-yl)acetamide
SYSTEMATIC NAME: N-[1-methyl-2-oxidanylidene-3-(phenylmethyl)purin-6-yl]ethanamide
MOLECULAR FORMULA: C15H15N5O2
MOLECULAR WEIGHT: 297.3119
SMILES: CC(=O)NC1=C2C(=NC=N2)N(C(=O)N1C)CC3=CC=CC=C3
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Product OPENEYE NAME: O3-benzyl O2-methyl 3-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
CAS Name: 3-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid O2-methyl ester O3-(phenylmethyl) ester
IUPAC NAME: 3-O-benzyl 2-O-methyl 3-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
SYSTEMATIC NAME: O2-methyl O3-(phenylmethyl) 3-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: COC(=O)C1C2CCC(C2)N1C(=O)OCC3=CC=CC=C3
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MOLECULAR FORMULA: C18H16O4S
MOLECULAR WEIGHT: 328.38224
SMILES: CCOC(=O)OC(=O)/C=C/1\C2=CC=CC=C2CCC3=C1SC=C3
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MOLECULAR FORMULA: C18H18O4S
MOLECULAR WEIGHT: 330.39812
SMILES: CCOC(=O)OC(=O)CC1C2=CC=CC=C2CCC3=C1SC=C3
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Product OPENEYE NAME: tert-butyl (2E)-2-[1-(2-benzyloxyethyl)pyrrolidin-2-ylidene]-2-cyano-acetate
CAS Name: (2E)-2-cyano-2-[1-(2-phenylmethoxyethyl)-2-pyrrolidinylidene]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl (2E)-2-cyano-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: tert-butyl (2E)-2-cyano-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: CC(C)(C)OC(=O)/C(=C/1\CCCN1CCOCC2=CC=CC=C2)/C#N
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Product OPENEYE NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)acetate
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-pyrrolidinylidene)acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CN\1CCC/C1=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC
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Product OPENEYE NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-benzyloxyethyl)pyrrolidin-2-ylidene]acetate
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)-2-pyrrolidinylidene]acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C23H25NO5
MOLECULAR WEIGHT: 395.4483
SMILES: COC(=O)/C(=C/1\CCCN1CCOCC2=CC=CC=C2)/C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]acetate
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)-2-pyrrolidinylidene]acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: COC(CN\1CCC/C1=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)OC
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Product OPENEYE NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxy-2-oxo-ethyl)pyrrolidin-2-ylidene]acetate
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxy-2-oxoethyl)-2-pyrrolidinylidene]acetic acid methyl ester
IUPAC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxy-2-oxoethyl)pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: methyl (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxy-2-oxidanylidene-ethyl)pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C17H19NO6
MOLECULAR WEIGHT: 333.33586
SMILES: COC(=O)CN\1CCC/C1=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC
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Product OPENEYE NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)acetonitrile
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-pyrrolidinylidene)acetonitrile
IUPAC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)acetonitrile
SYSTEMATIC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-(1-methylpyrrolidin-2-ylidene)ethanenitrile
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CN\1CCC/C1=C(\C#N)/C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-benzyloxyethyl)pyrrolidin-2-ylidene]acetonitrile
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)-2-pyrrolidinylidene]acetonitrile
IUPAC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]acetonitrile
SYSTEMATIC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2-phenylmethoxyethyl)pyrrolidin-2-ylidene]ethanenitrile
MOLECULAR FORMULA: C22H22N2O3
MOLECULAR WEIGHT: 362.42168
SMILES: C1C/C(=C(\C#N)/C2=CC3=C(C=C2)OCO3)/N(C1)CCOCC4=CC=CC=C4
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Product OPENEYE NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]acetonitrile
CAS Name: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)-2-pyrrolidinylidene]acetonitrile
IUPAC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]acetonitrile
SYSTEMATIC NAME: (2E)-2-(1,3-benzodioxol-5-yl)-2-[1-(2,2-dimethoxyethyl)pyrrolidin-2-ylidene]ethanenitrile
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: COC(CN\1CCC/C1=C(\C#N)/C2=CC3=C(C=C2)OCO3)OC
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Product OPENEYE NAME: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-1-methyl-pyrrolidine
CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-methylpyrrolidine
IUPAC NAME: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-methylpyrrolidine
SYSTEMATIC NAME: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-pyrrolidine
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CN\1CCC/C1=C/C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)pyrazine-2-carbonitrile
CAS Name: 5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2-pyrazinecarbonitrile
IUPAC NAME: 5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 5-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C21H25N3O6
MOLECULAR WEIGHT: 415.4397
SMILES: C1COCCOCCOC2=C(C=CC(=C2)C3=NC=C(N=C3)C#N)OCCOCCO1
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Product OPENEYE NAME: (Z)-3-amino-2-(dimethylamino)pent-2-en-4-ynenitrile
CAS Name: (Z)-3-amino-2-(dimethylamino)pent-2-en-4-ynenitrile
IUPAC NAME: (Z)-3-amino-2-(dimethylamino)pent-2-en-4-ynenitrile
SYSTEMATIC NAME: (Z)-3-azanyl-2-(dimethylamino)pent-2-en-4-ynenitrile
MOLECULAR FORMULA: C7H9N3
MOLECULAR WEIGHT: 135.16646
SMILES: CN(C)/C(=C(/C#C)\N)/C#N
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Product OPENEYE NAME: methyl (6R,7R)-3-(bromomethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-3-(bromomethyl)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (6R,7R)-3-(bromomethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: methyl (6R,7R)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H13BrN2O5S
MOLECULAR WEIGHT: 437.26452
SMILES: COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2N3C(=O)C4=CC=CC=C4C3=O)CBr
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Product OPENEYE NAME: methyl (6R,7R)-3-(acetoxymethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: methyl (6R,7R)-3-(acetyloxymethyl)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C19H16N2O7S
MOLECULAR WEIGHT: 416.40454
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)SC1)C(=O)OC
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Product OPENEYE NAME: methyl (6R,7R)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-3-[(2-phenylacetyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-3-[(1-oxo-2-phenylethoxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (6R,7R)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-3-[(2-phenylacetyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: methyl (6R,7R)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-3-(2-phenylethanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C25H20N2O7S
MOLECULAR WEIGHT: 492.5005
SMILES: COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2N3C(=O)C4=CC=CC=C4C3=O)COC(=O)CC5=CC=CC=C5
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Product OPENEYE NAME: methyl (6R,7R)-3-(butanoyloxymethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-3-(1-oxobutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (6R,7R)-3-(butanoyloxymethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: methyl (6R,7R)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(butanoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C21H20N2O7S
MOLECULAR WEIGHT: 444.4577
SMILES: CCCC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)SC1)C(=O)OC
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Product OPENEYE NAME: methyl (6R,7R)-3-(benzoyloxymethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-3-(benzoyloxymethyl)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (6R,7R)-3-(benzoyloxymethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: methyl (6R,7R)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-3-(phenylcarbonyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C24H18N2O7S
MOLECULAR WEIGHT: 478.47392
SMILES: COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2N3C(=O)C4=CC=CC=C4C3=O)COC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: methyl (2R,6R,7R)-3-(acetoxymethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
CAS Name: (2R,6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester
IUPAC NAME: methyl (2R,6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
SYSTEMATIC NAME: methyl (2R,6R,7R)-3-(acetyloxymethyl)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
MOLECULAR FORMULA: C19H16N2O7S
MOLECULAR WEIGHT: 416.40454
SMILES: CC(=O)OCC1=CS[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O
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