Product OPENEYE NAME: p-tolylsulfonyl-(2-pyrrol-1-ylphenyl)azanide
CAS Name: (4-methylphenyl)sulfonyl-[2-(1-pyrrolyl)phenyl]azanide
IUPAC NAME: (4-methylphenyl)sulfonyl-(2-pyrrol-1-ylphenyl)azanide
SYSTEMATIC NAME: (4-methylphenyl)sulfonyl-(2-pyrrol-1-ylphenyl)azanide
MOLECULAR FORMULA: C17H15N2O2S-
MOLECULAR WEIGHT: 311.3782
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC=CC=C2N3C=CC=C3
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Product OPENEYE NAME: [1-[2-[2-bromoethyl(p-tolylsulfonyl)amino]phenyl]pyrrol-2-yl] thiocyanate
CAS Name: thiocyanic acid [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonylamino]phenyl]-2-pyrrolyl] ester
IUPAC NAME: [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonylamino]phenyl]pyrrol-2-yl] thiocyanate
SYSTEMATIC NAME: [1-[2-[2-bromoethyl-(4-methylphenyl)sulfonyl-amino]phenyl]pyrrol-2-yl] thiocyanate
MOLECULAR FORMULA: C20H18BrN3O2S2
MOLECULAR WEIGHT: 476.40982
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC=CC=C2N3C=CC=C3SC#N
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Product OPENEYE NAME: N,N-dimethylpyrimidine-5-carboxamide
CAS Name: N,N-dimethyl-5-pyrimidinecarboxamide
IUPAC NAME: N,N-dimethylpyrimidine-5-carboxamide
SYSTEMATIC NAME: N,N-dimethylpyrimidine-5-carboxamide
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: CN(C)C(=O)C1=CN=CN=C1
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Product OPENEYE NAME: pyrimidin-1-ium
CAS Name: pyrimidin-1-ium
IUPAC NAME: pyrimidin-1-ium
SYSTEMATIC NAME: pyrimidin-1-ium
MOLECULAR FORMULA: C4H5N2+
MOLECULAR WEIGHT: 81.0959
SMILES: C1=CN=C[NH+]=C1
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Product OPENEYE NAME: 5-chloropyrimidin-1-ium
CAS Name: 5-chloropyrimidin-1-ium
IUPAC NAME: 5-chloropyrimidin-1-ium
SYSTEMATIC NAME: 5-chloranylpyrimidin-1-ium
MOLECULAR FORMULA: C4H4ClN2+
MOLECULAR WEIGHT: 115.54096
SMILES: C1=C(C=[NH+]C=N1)Cl
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Product OPENEYE NAME: 5-bromopyrimidin-1-ium
CAS Name: 5-bromopyrimidin-1-ium
IUPAC NAME: 5-bromopyrimidin-1-ium
SYSTEMATIC NAME: 5-bromanylpyrimidin-1-ium
MOLECULAR FORMULA: C4H4BrN2+
MOLECULAR WEIGHT: 159.99196
SMILES: C1=C(C=[NH+]C=N1)Br
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Product OPENEYE NAME: 5-methoxypyrimidin-1-ium
CAS Name: 5-methoxypyrimidin-1-ium
IUPAC NAME: 5-methoxypyrimidin-1-ium
SYSTEMATIC NAME: 5-methoxypyrimidin-1-ium
MOLECULAR FORMULA: C5H7N2O+
MOLECULAR WEIGHT: 111.12188
SMILES: COC1=CN=C[NH+]=C1
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Product OPENEYE NAME: pyrimidin-1-ium-5-carbonitrile
CAS Name: 5-pyrimidin-1-iumcarbonitrile
IUPAC NAME: pyrimidin-1-ium-5-carbonitrile
SYSTEMATIC NAME: pyrimidin-1-ium-5-carbonitrile
MOLECULAR FORMULA: C5H4N3+
MOLECULAR WEIGHT: 106.10536
SMILES: C1=C(C=[NH+]C=N1)C#N
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Product OPENEYE NAME: N,N-dimethylpyrimidin-1-ium-5-carboxamide
CAS Name: N,N-dimethyl-5-pyrimidin-1-iumcarboxamide
IUPAC NAME: N,N-dimethylpyrimidin-1-ium-5-carboxamide
SYSTEMATIC NAME: N,N-dimethylpyrimidin-1-ium-5-carboxamide
MOLECULAR FORMULA: C7H10N3O+
MOLECULAR WEIGHT: 152.1738
SMILES: CN(C)C(=O)C1=CN=C[NH+]=C1
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Product OPENEYE NAME: 5-chloro-1,4-dihydropyrimidin-3-ium-4-ol
CAS Name: 5-chloro-1,4-dihydropyrimidin-3-ium-4-ol
IUPAC NAME: 5-chloro-1,4-dihydropyrimidin-3-ium-4-ol
SYSTEMATIC NAME: 5-chloranyl-1,4-dihydropyrimidin-3-ium-4-ol
MOLECULAR FORMULA: C4H6ClN2O+
MOLECULAR WEIGHT: 133.55624
SMILES: C1=C(C([NH+]=CN1)O)Cl
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Product OPENEYE NAME: 5-chloro-1,4-dihydropyrimidin-4-ol
CAS Name: 5-chloro-1,4-dihydropyrimidin-4-ol
IUPAC NAME: 5-chloro-1,4-dihydropyrimidin-4-ol
SYSTEMATIC NAME: 5-chloranyl-1,4-dihydropyrimidin-4-ol
MOLECULAR FORMULA: C4H5ClN2O
MOLECULAR WEIGHT: 132.5483
SMILES: C1=C(C(N=CN1)O)Cl
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Product OPENEYE NAME: 5-bromo-1,4-dihydropyrimidin-3-ium-4-ol
CAS Name: 5-bromo-1,4-dihydropyrimidin-3-ium-4-ol
IUPAC NAME: 5-bromo-1,4-dihydropyrimidin-3-ium-4-ol
SYSTEMATIC NAME: 5-bromanyl-1,4-dihydropyrimidin-3-ium-4-ol
MOLECULAR FORMULA: C4H6BrN2O+
MOLECULAR WEIGHT: 178.00724
SMILES: C1=C(C([NH+]=CN1)O)Br
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Product OPENEYE NAME: 5-bromo-1,4-dihydropyrimidin-4-ol
CAS Name: 5-bromo-1,4-dihydropyrimidin-4-ol
IUPAC NAME: 5-bromo-1,4-dihydropyrimidin-4-ol
SYSTEMATIC NAME: 5-bromanyl-1,4-dihydropyrimidin-4-ol
MOLECULAR FORMULA: C4H5BrN2O
MOLECULAR WEIGHT: 176.9993
SMILES: C1=C(C(N=CN1)O)Br
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Product OPENEYE NAME: 4-hydroxy-1,4-dihydropyrimidin-3-ium-5-carbonitrile
CAS Name: 4-hydroxy-1,4-dihydropyrimidin-3-ium-5-carbonitrile
IUPAC NAME: 4-hydroxy-1,4-dihydropyrimidin-3-ium-5-carbonitrile
SYSTEMATIC NAME: 4-oxidanyl-1,4-dihydropyrimidin-3-ium-5-carbonitrile
MOLECULAR FORMULA: C5H6N3O+
MOLECULAR WEIGHT: 124.12064
SMILES: C1=C(C([NH+]=CN1)O)C#N
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Product OPENEYE NAME: 4-hydroxy-1,4-dihydropyrimidine-5-carbonitrile
CAS Name: 4-hydroxy-1,4-dihydropyrimidine-5-carbonitrile
IUPAC NAME: 4-hydroxy-1,4-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-oxidanyl-1,4-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H5N3O
MOLECULAR WEIGHT: 123.1127
SMILES: C1=C(C(N=CN1)O)C#N
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Product OPENEYE NAME: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidin-3-ium-5-carboxamide
CAS Name: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidin-3-ium-5-carboxamide
IUPAC NAME: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidin-3-ium-5-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-4-oxidanyl-1,4-dihydropyrimidin-3-ium-5-carboxamide
MOLECULAR FORMULA: C7H12N3O2+
MOLECULAR WEIGHT: 170.18908
SMILES: CN(C)C(=O)C1=CNC=[NH+]C1O
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Product OPENEYE NAME: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidine-5-carboxamide
CAS Name: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidine-5-carboxamide
IUPAC NAME: 4-hydroxy-N,N-dimethyl-1,4-dihydropyrimidine-5-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-4-oxidanyl-1,4-dihydropyrimidine-5-carboxamide
MOLECULAR FORMULA: C7H11N3O2
MOLECULAR WEIGHT: 169.18114
SMILES: CN(C)C(=O)C1=CNC=NC1O
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Product OPENEYE NAME: 3-bromo-2-imidazol-1-yl-chroman-4-one
CAS Name: 3-bromo-2-(1-imidazolyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 3-bromo-2-imidazol-1-yl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 3-bromanyl-2-imidazol-1-yl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C12H9BrN2O2
MOLECULAR WEIGHT: 293.11606
SMILES: C1=CC=C2C(=C1)C(=O)C(C(O2)N3C=CN=C3)Br
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