CAS RN: 71847-95-5
CAS Name: 2-methoxyacetic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) 2-methoxyacetate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) 2-methoxyacetate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) 2-methoxyethanoate
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: COCC(=O)OC1=CC=CNC1=O
Structure:
CAS RN: 61229-34-3
CAS Name: 1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl 1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
IUPAC Name: methyl 1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl 3-methoxy-8-methyl-1-oxidanyl-6-oxidanylidene-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
MOLECULAR FORMULA: C12H18O7
MOLECULAR WEIGHT: 274.26712
SMILES: CC1C2C(CC(=O)O1)C(C(OC2O)OC)C(=O)OC
Structure:
CAS RN: 60657-36-5
CAS Name: 6-(2-hydroxyethyl)-2,5,7-trimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3-dihydroinden-1-one
OPENEYE Name: 6-(2-hydroxyethyl)-2,5,7-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indan-1-one
IUPAC Name: 6-(2-hydroxyethyl)-2,5,7-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 6-(2-hydroxyethyl)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C20H28O8
MOLECULAR WEIGHT: 396.43152
SMILES: CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)OC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 57821-17-7
CAS Name: 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: methyl 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 1-methyl-2,4,7-tris(oxidanylidene)-8H-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C10H9N3O5
MOLECULAR WEIGHT: 251.19556
SMILES: CN1C2=C(C(=CC(=O)N2)C(=O)OC)C(=O)NC1=O
Structure:
CAS RN: 59345-67-4
CAS Name: 3-(dimethylamino)-2,4,5-triphenyl-1-cyclopenta-2,4-dienone
OPENEYE Name: 3-(dimethylamino)-2,4,5-triphenyl-cyclopenta-2,4-dien-1-one
IUPAC Name: 3-(dimethylamino)-2,4,5-triphenylcyclopenta-2,4-dien-1-one
SYSTEMATIC NAME: 3-(dimethylamino)-2,4,5-triphenyl-cyclopenta-2,4-dien-1-one
MOLECULAR FORMULA: C25H21NO
MOLECULAR WEIGHT: 351.44034
SMILES: CN(C)C1=C(C(=O)C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 52199-06-1
CAS Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C15H16N6O2
MOLECULAR WEIGHT: 312.32654
SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)N(C)C)C
Structure:
CAS RN: 58161-15-2
CAS Name: 2-amino-3-(1-bromo-2-naphthalenyl)propanoic acid
OPENEYE Name: 2-amino-3-(1-bromo-2-naphthyl)propanoic acid
IUPAC Name: 2-amino-3-(1-bromonaphthalen-2-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(1-bromanylnaphthalen-2-yl)propanoic acid
MOLECULAR FORMULA: C13H12BrNO2
MOLECULAR WEIGHT: 294.14388
SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)CC(C(=O)O)N
Structure:
CAS RN: 92634-96-3
CAS Name: 2-amino-3-(1-bromo-2-naphthalenyl)propanoic acid
OPENEYE Name: 2-amino-3-(1-bromo-2-naphthyl)propanoic acid
IUPAC Name: 2-amino-3-(1-bromonaphthalen-2-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(1-bromanylnaphthalen-2-yl)propanoic acid
MOLECULAR FORMULA: C13H12BrNO2
MOLECULAR WEIGHT: 294.14388
SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)CC(C(=O)O)N
Structure:
CAS RN: 58161-14-1
CAS Name: 2-amino-3-(1-chloro-2-naphthalenyl)propanoic acid
OPENEYE Name: 2-amino-3-(1-chloro-2-naphthyl)propanoic acid
IUPAC Name: 2-amino-3-(1-chloronaphthalen-2-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(1-chloranylnaphthalen-2-yl)propanoic acid
MOLECULAR FORMULA: C13H12ClNO2
MOLECULAR WEIGHT: 249.69288
SMILES: C1=CC=C2C(=C1)C=CC(=C2Cl)CC(C(=O)O)N
Structure:
CAS RN: 60026-35-9
CAS Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
IUPAC Name: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-1,6-dimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
MOLECULAR FORMULA: C15H16N6O3
MOLECULAR WEIGHT: 328.32594
SMILES: CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(C=C3)N(C)C)[O-])C
Structure:
CAS RN: 57562-66-0
CAS Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
MOLECULAR FORMULA: C14H11N5O5
MOLECULAR WEIGHT: 329.26764
SMILES: CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC4=C(C=C3)OCO4)[O-])C
Structure:
CAS RN: 32496-15-4
CAS Name: 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
OPENEYE Name: 3-(4-chlorophenyl)-1,6-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
IUPAC Name: 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,6-dimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
MOLECULAR FORMULA: C13H10ClN5O3
MOLECULAR WEIGHT: 319.7032
SMILES: CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(C=C3)Cl)[O-])C
Structure:
CAS RN: 52199-05-0
CAS Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C14H11N5O4
MOLECULAR WEIGHT: 313.26824
SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC4=C(C=C3)OCO4)C
Structure:
CAS RN: 32502-16-2
CAS Name: 3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C15H15N5O4
MOLECULAR WEIGHT: 329.3107
SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=C(C=C3)OC)OC)C
Structure:
CAS RN: 42285-69-8
CAS Name: 3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 3-(3,4-dichlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C13H9Cl2N5O2
MOLECULAR WEIGHT: 338.14886
SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=C(C=C3)Cl)Cl)C
Structure:
CAS RN: 60026-34-8
CAS Name: 1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
OPENEYE Name: 1,3,6-trimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
IUPAC Name: 1,3,6-trimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
SYSTEMATIC NAME: 1,3,6-trimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
MOLECULAR FORMULA: C8H9N5O3
MOLECULAR WEIGHT: 223.18876
SMILES: CC1=NN(C2=NC(=O)N(C(=O)C2=[N+]1[O-])C)C
Structure:
CAS RN: 25775-01-3
CAS Name: 6,8-dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 6,8-dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 6,8-dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 6,8-dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C13H10N6O4
MOLECULAR WEIGHT: 314.2563
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 42285-89-2
CAS Name: 8-(2-hydroxyethyl)-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 8-(2-hydroxyethyl)-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 8-(2-hydroxyethyl)-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 8-(2-hydroxyethyl)-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C14H13N5O3
MOLECULAR WEIGHT: 299.28472
SMILES: CN1C(=O)C2=C(N=NC(=N2)C3=CC=CC=C3)N(C1=O)CCO
Structure:
CAS RN: 42285-85-8
CAS Name: 8-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 8-ethyl-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 8-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 8-ethyl-6-methyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C14H13N5O2
MOLECULAR WEIGHT: 283.28532
SMILES: CCN1C2=C(C(=O)N(C1=O)C)N=C(N=N2)C3=CC=CC=C3
Structure:
CAS RN: 25696-85-9
CAS Name: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
OPENEYE Name: 6,8-dimethyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC Name: 6,8-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SYSTEMATIC NAME: 6,8-dimethyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
MOLECULAR FORMULA: C13H11N5O2
MOLECULAR WEIGHT: 269.25874
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=C(N=N2)C3=CC=CC=C3
Structure:
CAS RN: 67816-36-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H25AsO5Se
MOLECULAR WEIGHT: 427.2269
SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)C[Se][As](C)C)C
Structure:
CAS RN: 67816-32-4
CAS Name: 2-[(dimethylarsinothio)methyl]-6-methoxyoxane-3,4,5-triol
OPENEYE Name: 2-(dimethylarsanylsulfanylmethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(dimethylarsanylsulfanylmethyl)-6-methoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-(dimethylarsanylsulfanylmethyl)-6-methoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H19AsO5S
MOLECULAR WEIGHT: 314.23076
SMILES: COC1C(C(C(C(O1)CS[As](C)C)O)O)O
Structure:
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