Product OPENEYE NAME: 1-benzyl-6-chloro-2,1-benzothiazol-1-ium
CAS Name: 6-chloro-1-(phenylmethyl)-2,1-benzothiazol-1-ium
IUPAC NAME: 1-benzyl-6-chloro-2,1-benzothiazol-1-ium
SYSTEMATIC NAME: 6-chloranyl-1-(phenylmethyl)-2,1-benzothiazol-1-ium
MOLECULAR FORMULA: C14H11ClNS+
MOLECULAR WEIGHT: 260.76184
SMILES: C1=CC=C(C=C1)C[N+]2=C3C=C(C=CC3=CS2)Cl
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Product OPENEYE NAME: 4-[(E)-benzylideneamino]-6-[(E)-2-(4-methoxyphenyl)vinyl]-3-methylsulfanyl-1,2,4-triazin-5-one
CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylthio)-4-[(E)-(phenylmethylene)amino]-1,2,4-triazin-5-one
IUPAC NAME: 4-[(E)-benzylideneamino]-6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanyl-1,2,4-triazin-5-one
SYSTEMATIC NAME: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanyl-4-[(E)-(phenylmethylidene)amino]-1,2,4-triazin-5-one
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: COC1=CC=C(C=C1)/C=C/C2=NN=C(N(C2=O)/N=C/C3=CC=CC=C3)SC
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Product OPENEYE NAME: 1-methyl-2-(m-tolyl)isothiazolidin-1-ium
CAS Name: 1-methyl-2-(3-methylphenyl)isothiazolidin-1-ium
IUPAC NAME: 1-methyl-2-(3-methylphenyl)-1,2-thiazolidin-1-ium
SYSTEMATIC NAME: 1-methyl-2-(3-methylphenyl)-1,2-thiazolidin-1-ium
MOLECULAR FORMULA: C11H16NS+
MOLECULAR WEIGHT: 194.31644
SMILES: CC1=CC(=CC=C1)N2CCC[S+]2C
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Product OPENEYE NAME: 4-methoxy-N-(3-methoxysulfanylpropyl)aniline
CAS Name: 3-(4-methoxyanilino)-1-propanesulfenic acid
IUPAC NAME: 4-methoxy-N-(3-methoxysulfanylpropyl)aniline
SYSTEMATIC NAME: 4-methoxy-N-(3-methoxysulfanylpropyl)aniline
MOLECULAR FORMULA: C11H17NO2S
MOLECULAR WEIGHT: 227.32318
SMILES: COC1=CC=C(C=C1)NCCCSOC
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Product OPENEYE NAME: 1-methyl-2-phenyl-isothiazolidin-1-ium
CAS Name: 1-methyl-2-phenylisothiazolidin-1-ium
IUPAC NAME: 1-methyl-2-phenyl-1,2-thiazolidin-1-ium
SYSTEMATIC NAME: 1-methyl-2-phenyl-1,2-thiazolidin-1-ium
MOLECULAR FORMULA: C10H14NS+
MOLECULAR WEIGHT: 180.28986
SMILES: C[S+]1CCCN1C2=CC=CC=C2
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-1-methyl-isothiazolidin-1-ium
CAS Name: 2-(4-methoxyphenyl)-1-methylisothiazolidin-1-ium
IUPAC NAME: 2-(4-methoxyphenyl)-1-methyl-1,2-thiazolidin-1-ium
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-1-methyl-1,2-thiazolidin-1-ium
MOLECULAR FORMULA: C11H16NOS+
MOLECULAR WEIGHT: 210.31584
SMILES: COC1=CC=C(C=C1)N2CCC[S+]2C
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Product OPENEYE NAME: 2-(3-methoxyphenyl)-1-methyl-isothiazolidin-1-ium
CAS Name: 2-(3-methoxyphenyl)-1-methylisothiazolidin-1-ium
IUPAC NAME: 2-(3-methoxyphenyl)-1-methyl-1,2-thiazolidin-1-ium
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-1-methyl-1,2-thiazolidin-1-ium
MOLECULAR FORMULA: C11H16NOS+
MOLECULAR WEIGHT: 210.31584
SMILES: COC1=CC=CC(=C1)N2CCC[S+]2C
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Product OPENEYE NAME: 1-methyl-2-(p-tolyl)isothiazolidin-1-ium
CAS Name: 1-methyl-2-(4-methylphenyl)isothiazolidin-1-ium
IUPAC NAME: 1-methyl-2-(4-methylphenyl)-1,2-thiazolidin-1-ium
SYSTEMATIC NAME: 1-methyl-2-(4-methylphenyl)-1,2-thiazolidin-1-ium
MOLECULAR FORMULA: C11H16NS+
MOLECULAR WEIGHT: 194.31644
SMILES: CC1=CC=C(C=C1)N2CCC[S+]2C
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Product OPENEYE NAME: 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[2,3-b]pyridine
CAS Name: 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[2,3-b]pyridine
IUPAC NAME: 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[2,3-b]pyridine
SYSTEMATIC NAME: 6-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[2,3-b]pyridine
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: C1CCN=C(NC1)C2=NC3=C(C=C2)C=CS3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14N2O4
MOLECULAR WEIGHT: 370.35756
SMILES: C1CC(=O)C2=C1N3C(C4=CC=CC=C4C=N3)OC25C(=O)C6=CC=CC=C6C5=O
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Product OPENEYE NAME: spiro[2,3,4,11b-tetrahydrophthalazino[2,1-a][3,1]benzoxazine-13,2'-indane]-1,1',3'-trione
CAS Name: spiro[2,3,4,11b-tetrahydrophthalazino[2,1-a][3,1]benzoxazine-13,2'-indene]-1,1',3'-trione
IUPAC NAME: spiro[2,3,4,11b-tetrahydrophthalazino[2,1-a][3,1]benzoxazine-13,2'-indene]-1,1',3'-trione
SYSTEMATIC NAME: spiro[2,3,4,11b-tetrahydrophthalazino[2,1-a][3,1]benzoxazine-13,2'-indene]-1,1',3'-trione
MOLECULAR FORMULA: C23H16N2O4
MOLECULAR WEIGHT: 384.38414
SMILES: C1CC2=C(C(=O)C1)C3(C(=O)C4=CC=CC=C4C3=O)OC5N2N=CC6=CC=CC=C56
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Product OPENEYE NAME: (9S,10S)-10-azido-9,10-dihydrophenanthren-9-ol
CAS Name: (9S,10S)-10-azido-9,10-dihydrophenanthren-9-ol
IUPAC NAME: (9S,10S)-10-azido-9,10-dihydrophenanthren-9-ol
SYSTEMATIC NAME: (9S,10S)-10-azido-9,10-dihydrophenanthren-9-ol
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C2C(=C1)[C@@H]([C@H](C3=CC=CC=C32)O)N=[N+]=[N-]
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Product OPENEYE NAME: 5-(2-hydroxyethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
CAS Name: 5-[(2-hydroxyethylthio)methyl]-1H-pyrimidine-2,4-dione
IUPAC NAME: 5-(2-hydroxyethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-hydroxyethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H10N2O3S
MOLECULAR WEIGHT: 202.2309
SMILES: C1=C(C(=O)NC(=O)N1)CSCCO
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Product OPENEYE NAME: 5-(2-hydroxyethoxymethyl)-1-methyl-pyrimidine-2,4-dione
CAS Name: 5-(2-hydroxyethoxymethyl)-1-methylpyrimidine-2,4-dione
IUPAC NAME: 5-(2-hydroxyethoxymethyl)-1-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-hydroxyethyloxymethyl)-1-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H12N2O4
MOLECULAR WEIGHT: 200.19188
SMILES: CN1C=C(C(=O)NC1=O)COCCO
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Product OPENEYE NAME: 5-(2-hydroxyethoxymethyl)-1,3-dimethyl-pyrimidine-2,4-dione
CAS Name: 5-(2-hydroxyethoxymethyl)-1,3-dimethylpyrimidine-2,4-dione
IUPAC NAME: 5-(2-hydroxyethoxymethyl)-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-hydroxyethyloxymethyl)-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H14N2O4
MOLECULAR WEIGHT: 214.21846
SMILES: CN1C=C(C(=O)N(C1=O)C)COCCO
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Product OPENEYE NAME: 2-amino-5-(2-hydroxyethoxymethyl)-1H-pyrimidin-6-one
CAS Name: 2-amino-5-(2-hydroxyethoxymethyl)-1H-pyrimidin-6-one
IUPAC NAME: 2-amino-5-(2-hydroxyethoxymethyl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-(2-hydroxyethyloxymethyl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C7H11N3O3
MOLECULAR WEIGHT: 185.18054
SMILES: C1=C(C(=O)NC(=N1)N)COCCO
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Product OPENEYE NAME: 2-amino-5-(2-hydroxyethoxymethyl)-1-methyl-pyrimidin-4-one
CAS Name: 2-amino-5-(2-hydroxyethoxymethyl)-1-methyl-4-pyrimidinone
IUPAC NAME: 2-amino-5-(2-hydroxyethoxymethyl)-1-methylpyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(2-hydroxyethyloxymethyl)-1-methyl-pyrimidin-4-one
MOLECULAR FORMULA: C8H13N3O3
MOLECULAR WEIGHT: 199.20712
SMILES: CN1C=C(C(=O)N=C1N)COCCO
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Product OPENEYE NAME: ethyl 3-methyl-6-(2-methylprop-1-enyl)-4-oxo-2,3-dihydropyran-5-carboxylate
CAS Name: 3-methyl-6-(2-methylprop-1-enyl)-4-oxo-2,3-dihydropyran-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-methyl-6-(2-methylprop-1-enyl)-4-oxo-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-6-(2-methylprop-1-enyl)-4-oxidanylidene-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CCOC(=O)C1=C(OCC(C1=O)C)C=C(C)C
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Product OPENEYE NAME: ethyl 2-methyl-6-[(E)-1-methylprop-1-enyl]-4-oxo-2,3-dihydropyran-5-carboxylate
CAS Name: 6-[(E)-but-2-en-2-yl]-2-methyl-4-oxo-2,3-dihydropyran-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[(E)-but-2-en-2-yl]-2-methyl-4-oxo-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: ethyl 6-[(E)-but-2-en-2-yl]-2-methyl-4-oxidanylidene-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CCOC(=O)C1=C(OC(CC1=O)C)/C(=C/C)/C
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Product OPENEYE NAME: 6-methyl-3-[(Z)-1-methylprop-1-enyl]-1-phenyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
CAS Name: 3-[(Z)-but-2-en-2-yl]-6-methyl-1-phenyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
IUPAC NAME: 3-[(Z)-but-2-en-2-yl]-6-methyl-1-phenyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
SYSTEMATIC NAME: 3-[(Z)-but-2-en-2-yl]-6-methyl-1-phenyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: C/C=C(/C)\C1=NN(C2=C1C(=O)OC(C2)C)C3=CC=CC=C3
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