CAS RN: 14753-21-0
CAS Name: 2-methyl-10,10-dioxo-9-thioxanthenone
OPENEYE Name: 2-methyl-10,10-dioxo-thioxanthen-9-one
IUPAC Name: 2-methyl-10,10-dioxothioxanthen-9-one
SYSTEMATIC NAME: 2-methyl-10,10-bis(oxidanylidene)thioxanthen-9-one
MOLECULAR FORMULA: C14H10O3S
MOLECULAR WEIGHT: 258.2924
SMILES: CC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 7605-15-4
CAS Name: 10-oxo-9-thioxanthenone
OPENEYE Name: 10-oxothioxanthen-9-one
IUPAC Name: 10-oxothioxanthen-9-one
SYSTEMATIC NAME: 10-oxidanylidenethioxanthen-9-one
MOLECULAR FORMULA: C13H8O2S
MOLECULAR WEIGHT: 228.26642
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2=O
Structure:
CAS RN: 69361-75-7
CAS Name: 1-phenyl-1-nonen-3-one oxime
OPENEYE Name: 1-phenylnon-1-en-3-one oxime
IUPAC Name: N-(1-phenylnon-1-en-3-ylidene)hydroxylamine
SYSTEMATIC NAME: N-(1-phenylnon-1-en-3-ylidene)hydroxylamine
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CCCCCCC(=NO)C=CC1=CC=CC=C1
Structure:
CAS RN: 69361-73-5
CAS Name: 1-(3,4-dichlorophenyl)-1-nonen-3-one oxime
OPENEYE Name: 1-(3,4-dichlorophenyl)non-1-en-3-one oxime
IUPAC Name: N-[1-(3,4-dichlorophenyl)non-1-en-3-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[1-(3,4-dichlorophenyl)non-1-en-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H19Cl2NO
MOLECULAR WEIGHT: 300.22346
SMILES: CCCCCCC(=NO)C=CC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 69361-71-3
CAS Name: 1-(4-chlorophenyl)-1-nonen-3-one oxime
OPENEYE Name: 1-(4-chlorophenyl)non-1-en-3-one oxime
IUPAC Name: N-[1-(4-chlorophenyl)non-1-en-3-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)non-1-en-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: CCCCCCC(=NO)C=CC1=CC=C(C=C1)Cl
Structure:
CAS RN: 69361-70-2
CAS Name: 1-(2-chlorophenyl)-1-nonen-3-one oxime
OPENEYE Name: 1-(2-chlorophenyl)non-1-en-3-one oxime
IUPAC Name: N-[1-(2-chlorophenyl)non-1-en-3-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[1-(2-chlorophenyl)non-1-en-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: CCCCCCC(=NO)C=CC1=CC=CC=C1Cl
Structure:
CAS RN: 25578-12-5
CAS Name: 4a-spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]carbonitrile
OPENEYE Name: spiro[1,3-dioxolane-2,3'-decalin]-4'a-carbonitrile
IUPAC Name: spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
SYSTEMATIC NAME: spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: C1CCC2(CC3(CCC2C1)OCCO3)C#N
Structure:
CAS RN: 66045-90-7
CAS Name: 2-[(4-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
OPENEYE Name: 2-[(4-bromophenyl)methylene]tetralin-1-one
IUPAC Name: 2-[(4-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: 2-[(4-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C17H13BrO
MOLECULAR WEIGHT: 313.18852
SMILES: C1CC(=CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C31
Structure:
CAS RN: 72700-02-8
CAS Name: 2-[[4-(diethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
OPENEYE Name: 2-[[4-(diethylamino)phenyl]methylene]tetralin-1-one
IUPAC Name: 2-[[4-(diethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: 2-[[4-(diethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C21H23NO
MOLECULAR WEIGHT: 305.41342
SMILES: CCN(CC)C1=CC=C(C=C1)C=C2CCC3=CC=CC=C3C2=O
Structure:
CAS RN: 64705-52-8
CAS Name: (5-amino-2-hydroxy-1H-pyrimido[5,4-e]azaborin-3-yl)boronic acid
OPENEYE Name: (5-amino-2-hydroxy-1H-pyrimido[5,4-e]azaborinin-3-yl)boronic acid
IUPAC Name: (5-amino-2-hydroxy-1H-pyrimido[5,4-e]azaborinin-3-yl)boronic acid
SYSTEMATIC NAME: (5-azanyl-2-oxidanyl-1H-pyrimido[5,4-e][1,2]azaborinin-3-yl)boronic acid
MOLECULAR FORMULA: C6H8B2N4O3
MOLECULAR WEIGHT: 205.77472
SMILES: B1(C(=CC2=C(N1)N=CN=C2N)B(O)O)O
Structure:
CAS RN: 10173-56-5
CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloroaniline
OPENEYE Name: 2-(1H-benzimidazol-2-yl)-4-chloro-aniline
IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloroaniline
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)-4-chloranyl-aniline
MOLECULAR FORMULA: C13H10ClN3
MOLECULAR WEIGHT: 243.6916
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Cl)N
Structure:
CAS RN: 10202-98-9
CAS Name: 7-methoxy-4-nitro-2,1-benzoxazole
OPENEYE Name: 7-methoxy-4-nitro-2,1-benzoxazole
IUPAC Name: 7-methoxy-4-nitro-2,1-benzoxazole
SYSTEMATIC NAME: 7-methoxy-4-nitro-2,1-benzoxazole
MOLECULAR FORMULA: C8H6N2O4
MOLECULAR WEIGHT: 194.14424
SMILES: COC1=CC=C(C2=CON=C12)[N+](=O)[O-]
Structure:
CAS RN: 4104-36-3
CAS Name: 5-nitro-2,1-benzoxazole
OPENEYE Name: 5-nitro-2,1-benzoxazole
IUPAC Name: 5-nitro-2,1-benzoxazole
SYSTEMATIC NAME: 5-nitro-2,1-benzoxazole
MOLECULAR FORMULA: C7H4N2O3
MOLECULAR WEIGHT: 164.11826
SMILES: C1=CC2=NOC=C2C=C1[N+](=O)[O-]
Structure:
CAS RN: 14105-23-8
CAS Name: 4-(1H-indol-3-yl)-2-butanone oxime
OPENEYE Name: 4-(1H-indol-3-yl)butan-2-one oxime
IUPAC Name: N-[4-(1H-indol-3-yl)butan-2-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[4-(1H-indol-3-yl)butan-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC(=NO)CCC1=CNC2=CC=CC=C21
Structure:
CAS RN: 36286-78-9
CAS Name: 3-(4-methylphenyl)-5-oxo-2H-1,2,4-triazine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-oxo-3-(p-tolyl)-2H-1,2,4-triazine-6-carboxylate
IUPAC Name: ethyl 3-(4-methylphenyl)-5-oxo-2H-1,2,4-triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazine-6-carboxylate
MOLECULAR FORMULA: C13H13N3O3
MOLECULAR WEIGHT: 259.26062
SMILES: CCOC(=O)C1=NNC(=NC1=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 36286-76-7
CAS Name: 5-oxo-3-phenyl-2H-1,2,4-triazine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-oxo-3-phenyl-2H-1,2,4-triazine-6-carboxylate
IUPAC Name: ethyl 5-oxo-3-phenyl-2H-1,2,4-triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-oxidanylidene-3-phenyl-2H-1,2,4-triazine-6-carboxylate
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: CCOC(=O)C1=NNC(=NC1=O)C2=CC=CC=C2
Structure:
CAS RN: 26154-45-0
CAS Name: 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate
IUPAC Name: diethyl 5-methyl-3-oxo-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate
SYSTEMATIC NAME: diethyl 5-methyl-3-oxidanylidene-2,4-dihydro-1,2,4-triazine-1,6-dicarboxylate
MOLECULAR FORMULA: C10H15N3O5
MOLECULAR WEIGHT: 257.2432
SMILES: CCOC(=O)C1=C(NC(=O)NN1C(=O)OCC)C
Structure:
CAS RN: 36286-82-5
CAS Name: 3-(4-chlorophenyl)-5-oxo-2H-1,2,4-triazine-6-carboxamide
OPENEYE Name: 3-(4-chlorophenyl)-5-oxo-2H-1,2,4-triazine-6-carboxamide
IUPAC Name: 3-(4-chlorophenyl)-5-oxo-2H-1,2,4-triazine-6-carboxamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5-oxidanylidene-2H-1,2,4-triazine-6-carboxamide
MOLECULAR FORMULA: C10H7ClN4O2
MOLECULAR WEIGHT: 250.64118
SMILES: C1=CC(=CC=C1C2=NC(=O)C(=NN2)C(=O)N)Cl
Structure:
CAS RN: 36286-84-7
CAS Name: 5-oxo-3-(2-pyridinyl)-2H-1,2,4-triazine-6-carboxamide
OPENEYE Name: 5-oxo-3-(2-pyridyl)-2H-1,2,4-triazine-6-carboxamide
IUPAC Name: 5-oxo-3-pyridin-2-yl-2H-1,2,4-triazine-6-carboxamide
SYSTEMATIC NAME: 5-oxidanylidene-3-pyridin-2-yl-2H-1,2,4-triazine-6-carboxamide
MOLECULAR FORMULA: C9H7N5O2
MOLECULAR WEIGHT: 217.18418
SMILES: C1=CC=NC(=C1)C2=NC(=O)C(=NN2)C(=O)N
Structure:
CAS RN: 36286-81-4
CAS Name: 3-ethyl-5-oxo-2H-1,2,4-triazine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-ethyl-5-oxo-2H-1,2,4-triazine-6-carboxylate
IUPAC Name: ethyl 3-ethyl-5-oxo-2H-1,2,4-triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-ethyl-5-oxidanylidene-2H-1,2,4-triazine-6-carboxylate
MOLECULAR FORMULA: C8H11N3O3
MOLECULAR WEIGHT: 197.19124
SMILES: CCC1=NC(=O)C(=NN1)C(=O)OCC
Structure:
CAS RN: 36286-85-8
CAS Name: 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxamide
OPENEYE Name: 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxamide
IUPAC Name: 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxamide
SYSTEMATIC NAME: 3-methyl-5-oxidanylidene-2H-1,2,4-triazine-6-carboxamide
MOLECULAR FORMULA: C5H6N4O2
MOLECULAR WEIGHT: 154.12674
SMILES: CC1=NC(=O)C(=NN1)C(=O)N
Structure:
CAS RN: 54798-27-5
CAS Name: 4-[(5-amino-6-cyano-2-pyrazinyl)methylamino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(5-amino-6-cyano-pyrazin-2-yl)methylamino]benzoate
IUPAC Name: ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[(5-azanyl-6-cyano-pyrazin-2-yl)methylamino]benzoate
MOLECULAR FORMULA: C15H15N5O2
MOLECULAR WEIGHT: 297.3119
SMILES: CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C(C(=N2)C#N)N
Structure:
CAS RN: 54632-08-5
CAS Name: 3-amino-5-chloro-6-methyl-2-pyrazinecarbonitrile
OPENEYE Name: 3-amino-5-chloro-6-methyl-pyrazine-2-carbonitrile
IUPAC Name: 3-amino-5-chloro-6-methylpyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-azanyl-5-chloranyl-6-methyl-pyrazine-2-carbonitrile
MOLECULAR FORMULA: C6H5ClN4
MOLECULAR WEIGHT: 168.5837
SMILES: CC1=NC(=C(N=C1Cl)N)C#N
Structure:
CAS RN: 92577-10-1
CAS Name: 5-chloro-6-ethoxy-2-phenyl-4-pyrimidinamine
OPENEYE Name: 5-chloro-6-ethoxy-2-phenyl-pyrimidin-4-amine
IUPAC Name: 5-chloro-6-ethoxy-2-phenylpyrimidin-4-amine
SYSTEMATIC NAME: 5-chloranyl-6-ethoxy-2-phenyl-pyrimidin-4-amine
MOLECULAR FORMULA: C12H12ClN3O
MOLECULAR WEIGHT: 249.69618
SMILES: CCOC1=NC(=NC(=C1Cl)N)C2=CC=CC=C2
Structure:
CAS RN: 5250-35-1
CAS Name: 5-nitroso-N2-(phenylmethyl)pyrimidine-2,4,6-triamine
OPENEYE Name: N2-benzyl-5-nitroso-pyrimidine-2,4,6-triamine
IUPAC Name: 2-N-benzyl-5-nitrosopyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-nitroso-N2-(phenylmethyl)pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C11H12N6O
MOLECULAR WEIGHT: 244.25258
SMILES: C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)N=O)N
Structure:
CAS RN: 71552-26-6
CAS Name: 5-chloro-N4-(4-methylphenyl)pyrimidine-2,4,6-triamine
OPENEYE Name: 5-chloro-N4-(p-tolyl)pyrimidine-2,4,6-triamine
IUPAC Name: 5-chloro-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-chloranyl-N4-(4-methylphenyl)pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C11H12ClN5
MOLECULAR WEIGHT: 249.69948
SMILES: CC1=CC=C(C=C1)NC2=NC(=NC(=C2Cl)N)N
Structure:
CAS RN: 16347-87-8
CAS Name: N-(4-oxo-3-quinazolinyl)acetamide
OPENEYE Name: N-(4-oxoquinazolin-3-yl)acetamide
IUPAC Name: N-(4-oxoquinazolin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-oxidanylidenequinazolin-3-yl)ethanamide
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: CC(=O)NN1C=NC2=CC=CC=C2C1=O
Structure:
CAS RN: 83260-68-8
CAS Name: 2-chloro-N-methyl-4-quinazolinamine
OPENEYE Name: 2-chloro-N-methyl-quinazolin-4-amine
IUPAC Name: 2-chloro-N-methylquinazolin-4-amine
SYSTEMATIC NAME: 2-chloranyl-N-methyl-quinazolin-4-amine
MOLECULAR FORMULA: C9H8ClN3
MOLECULAR WEIGHT: 193.63292
SMILES: CNC1=NC(=NC2=CC=CC=C21)Cl
Structure:
CAS RN: 86443-06-3
CAS Name: 2-[(5-isoquinolinylamino)methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(5-isoquinolylamino)methylene]propanedioate
IUPAC Name: diethyl 2-[(isoquinolin-5-ylamino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(isoquinolin-5-ylamino)methylidene]propanedioate
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CCOC(=O)C(=CNC1=CC=CC2=C1C=CN=C2)C(=O)OCC
Structure:
CAS RN: 58142-95-3
CAS Name: 5-chloro-8-nitroisoquinoline
OPENEYE Name: 5-chloro-8-nitro-isoquinoline
IUPAC Name: 5-chloro-8-nitroisoquinoline
SYSTEMATIC NAME: 5-chloranyl-8-nitro-isoquinoline
MOLECULAR FORMULA: C9H5ClN2O2
MOLECULAR WEIGHT: 208.6012
SMILES: C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Cl
Structure:
CAS RN: 88023-05-6
CAS Name: 3-oxo-2-(2-quinolinylmethyl)butanoic acid ethyl ester
OPENEYE Name: ethyl 3-oxo-2-(2-quinolylmethyl)butanoate
IUPAC Name: ethyl 3-oxo-2-(quinolin-2-ylmethyl)butanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-2-(quinolin-2-ylmethyl)butanoate
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CCOC(=O)C(CC1=NC2=CC=CC=C2C=C1)C(=O)C
Structure:
CAS RN: 18620-80-9
CAS Name: 6-[(4-chlorophenyl)thio]pyrimidine-2,4-diamine
OPENEYE Name: 6-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
IUPAC Name: 6-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
MOLECULAR FORMULA: C10H9ClN4S
MOLECULAR WEIGHT: 252.72326
SMILES: C1=CC(=CC=C1SC2=NC(=NC(=C2)N)N)Cl
Structure:
CAS RN: 37789-59-6
CAS Name: N2,N2,N4,6-tetramethyl-5-nitropyrimidine-2,4-diamine
OPENEYE Name: N2,N2,N4,6-tetramethyl-5-nitro-pyrimidine-2,4-diamine
IUPAC Name: 2-N,2-N,4-N,6-tetramethyl-5-nitropyrimidine-2,4-diamine
SYSTEMATIC NAME: N2,N2,N4,6-tetramethyl-5-nitro-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C8H13N5O2
MOLECULAR WEIGHT: 211.22112
SMILES: CC1=C(C(=NC(=N1)N(C)C)NC)[N+](=O)[O-]
Structure:
CAS RN: 1928-70-7
CAS Name: N4,N4,N6-trimethyl-5-nitropyrimidine-4,6-diamine
OPENEYE Name: N4,N4,N6-trimethyl-5-nitro-pyrimidine-4,6-diamine
IUPAC Name: 4-N,4-N,6-N-trimethyl-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: N4,N4,N6-trimethyl-5-nitro-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C7H11N5O2
MOLECULAR WEIGHT: 197.19454
SMILES: CNC1=C(C(=NC=N1)N(C)C)[N+](=O)[O-]
Structure:
CAS RN: 54632-31-4
CAS Name: 5-amino-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5-amino-6-hydroxy-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-amino-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-azanyl-1,3-dimethyl-6-oxidanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: CN1C(=C(C(=O)N(C1=O)C)N)O
Structure:
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