Product OPENEYE NAME: fumaric acid; 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: (E)-2-butenedioic acid; 1-[2-[3-(1H-imidazol-5-yl)propylthio]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: (E)-but-2-enedioic acid; 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C21H24F3N7O8S
MOLECULAR WEIGHT: 591.51757
SMILES: C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC2=CN=CN2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-[2-[3-(1H-imidazol-5-yl)propylthio]-4-pyrimidinyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-[2-[3-(1H-imidazol-5-yl)propylsulfanyl]pyrimidin-4-yl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C13H16F3N7S
MOLECULAR WEIGHT: 359.37325
SMILES: C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC2=CN=CN2
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Product OPENEYE NAME: 2,4-bis(oxiran-2-ylmethyl)pteridine
CAS Name: 2,4-bis(2-oxiranylmethyl)pteridine
IUPAC NAME: 2,4-bis(oxiran-2-ylmethyl)pteridine
SYSTEMATIC NAME: 2,4-bis(oxiran-2-ylmethyl)pteridine
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: C1C(O1)CC2=NC(=NC3=NC=CN=C23)CC4CO4
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Product OPENEYE NAME: 1,3-bis(oxiran-2-ylmethyl)benzo[g]pteridine-2,4-dione
CAS Name: 1,3-bis(2-oxiranylmethyl)benzo[g]pteridine-2,4-dione
IUPAC NAME: 1,3-bis(oxiran-2-ylmethyl)benzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 1,3-bis(oxiran-2-ylmethyl)benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C16H14N4O4
MOLECULAR WEIGHT: 326.30676
SMILES: C1C(O1)CN2C3=NC4=CC=CC=C4N=C3C(=O)N(C2=O)CC5CO5
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Product OPENEYE NAME: 7-phenyl-1H-benzo[g]pteridine-2,4-dione
CAS Name: 7-phenyl-1H-benzo[g]pteridine-2,4-dione
IUPAC NAME: 7-phenyl-1H-benzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 7-phenyl-1H-benzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C16H10N4O2
MOLECULAR WEIGHT: 290.2762
SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C4C(=N3)C(=O)NC(=O)N4
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Product OPENEYE NAME: 9-methyl-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 9-methyl-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 9-methyl-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 9-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C11H8N8O
MOLECULAR WEIGHT: 268.23422
SMILES: CC1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C4=NNN=N4
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Product OPENEYE NAME: 9-amino-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 9-amino-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 9-amino-2-(2H-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 9-azanyl-2-(2H-1,2,3,4-tetrazol-5-yl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C10H7N9O
MOLECULAR WEIGHT: 269.22228
SMILES: C1=CC2=NC(=O)N3C(=C2C=C1N)N=C(N3)C4=NNN=N4
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Product OPENEYE NAME: 9-ethylsulfinyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 9-ethylsulfinyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 9-ethylsulfinyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 9-ethylsulfinyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C12H12N4O3S
MOLECULAR WEIGHT: 292.31368
SMILES: CCS(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)CO
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Product OPENEYE NAME: 8-bromo-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
CAS Name: 8-bromo-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
IUPAC NAME: 8-bromo-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
SYSTEMATIC NAME: 8-bromanyl-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
MOLECULAR FORMULA: C10H5BrN4O3
MOLECULAR WEIGHT: 309.0757
SMILES: C1=CC2=C3N=C(NN3C(=O)N=C2C=C1Br)C(=O)O
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Product OPENEYE NAME: 2-(hydroxymethyl)-3,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline-5,8-dione
CAS Name: 2-(hydroxymethyl)-3,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline-5,8-dione
IUPAC NAME: 2-(hydroxymethyl)-3,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline-5,8-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)-3,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline-5,8-dione
MOLECULAR FORMULA: C10H8N4O3
MOLECULAR WEIGHT: 232.19552
SMILES: C1=CC2=C3N=C(NN3C(=O)NC2=CC1=O)CO
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Product OPENEYE NAME: 9-(dimethylamino)-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 9-(dimethylamino)-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 9-(dimethylamino)-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 9-(dimethylamino)-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C12H13N5O2
MOLECULAR WEIGHT: 259.26392
SMILES: CN(C)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)CO
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Product OPENEYE NAME: 8-chloro-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 8-chloro-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 8-chloro-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 8-chloranyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C10H7ClN4O2
MOLECULAR WEIGHT: 250.64118
SMILES: C1=CC2=C3N=C(NN3C(=O)N=C2C=C1Cl)CO
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Product OPENEYE NAME: 8-ethyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CAS Name: 8-ethyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
IUPAC NAME: 8-ethyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SYSTEMATIC NAME: 8-ethyl-2-(hydroxymethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: CCC1=CC2=NC(=O)N3C(=C2C=C1)N=C(N3)CO
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Product OPENEYE NAME: 9-ethylsulfonyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
CAS Name: 9-ethylsulfonyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
IUPAC NAME: 9-ethylsulfonyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
SYSTEMATIC NAME: 9-ethylsulfonyl-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
MOLECULAR FORMULA: C12H10N4O5S
MOLECULAR WEIGHT: 322.2966
SMILES: CCS(=O)(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C(=O)O
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Product OPENEYE NAME: 9-methoxy-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
CAS Name: 9-methoxy-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
IUPAC NAME: 9-methoxy-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
SYSTEMATIC NAME: 9-methoxy-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
MOLECULAR FORMULA: C11H8N4O4
MOLECULAR WEIGHT: 260.20562
SMILES: COC1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C(=O)O
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