CAS RN: 180537-61-5
CAS Name: 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
OPENEYE Name: 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridyl)-2,4-dioxo-butanamide
IUPAC Name: 4-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-2,4-bis(oxidanylidene)butanamide
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: CC1=NC(=CC=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 180537-58-0
CAS Name: 4-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
OPENEYE Name: N-(6-methyl-2-pyridyl)-2,4-dioxo-4-(p-tolyl)butanamide
IUPAC Name: 4-(4-methylphenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
SYSTEMATIC NAME: 4-(4-methylphenyl)-N-(6-methylpyridin-2-yl)-2,4-bis(oxidanylidene)butanamide
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=CC(=N2)C
Structure:
CAS RN: 180537-47-7
CAS Name: 4-[3-(aminomethyl)-1-adamantyl]aniline dihydrochloride
OPENEYE Name: 4-[3-(aminomethyl)-1-adamantyl]aniline dihydrochloride
IUPAC Name: 4-[3-(aminomethyl)-1-adamantyl]aniline dihydrochloride
SYSTEMATIC NAME: 4-[3-(aminomethyl)-1-adamantyl]aniline dihydrochloride
MOLECULAR FORMULA: C17H26Cl2N2
MOLECULAR WEIGHT: 329.30774
SMILES: C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)CN.Cl.Cl
Structure:
CAS RN: 180386-90-7
CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-1-propanamine hydrochloride
OPENEYE Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-propan-1-amine hydrochloride
IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C18H22ClNO2
MOLECULAR WEIGHT: 319.82578
SMILES: C1COC2=C(C=C(C=C2)C(CCC3=CC=CC=C3)N)OC1.Cl
Structure:
CAS RN: 180301-45-5
CAS Name: N,N-diethylcarbamodithioic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester
OPENEYE Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl N,N-diethylcarbamodithioate
IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C15H23N5O2S2
MOLECULAR WEIGHT: 369.50542
SMILES: CCN(CC)C(=S)SCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
Structure:
CAS RN: 180301-44-4
CAS Name: N,N-diethylcarbamodithioic acid 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl ester
OPENEYE Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl N,N-diethylcarbamodithioate
IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C15H23N5O2S2
MOLECULAR WEIGHT: 369.50542
SMILES: CCN(CC)C(=S)SCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 180301-43-3
CAS Name: N,N-diethylcarbamodithioic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl N,N-diethylcarbamodithioate
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C14H21N5O2S2
MOLECULAR WEIGHT: 355.47884
SMILES: CCN(CC)C(=S)SCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 180301-42-2
CAS Name: N,N-diethylcarbamodithioic acid (1,3,7-trimethyl-2,6-dioxo-8-purinyl) ester
OPENEYE Name: (1,3,7-trimethyl-2,6-dioxo-purin-8-yl) N,N-diethylcarbamodithioate
IUPAC Name: (1,3,7-trimethyl-2,6-dioxopurin-8-yl) N,N-diethylcarbamodithioate
SYSTEMATIC NAME: [1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C13H19N5O2S2
MOLECULAR WEIGHT: 341.45226
SMILES: CCN(CC)C(=S)SC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 180274-10-6
CAS Name: 5-(2-butylsulfinylethoxy)-1,3,6-trimethylpyrimidine-2,4-dione
OPENEYE Name: 5-(2-butylsulfinylethoxy)-1,3,6-trimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-(2-butylsulfinylethoxy)-1,3,6-trimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-butylsulfinylethoxy)-1,3,6-trimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H22N2O4S
MOLECULAR WEIGHT: 302.38978
SMILES: CCCCS(=O)CCOC1=C(N(C(=O)N(C1=O)C)C)C
Structure:
CAS RN: 180274-09-3
CAS Name: 5-(2-butylsulfinylethoxy)-1-(2-butylsulfinylethyl)-3,6-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5-(2-butylsulfinylethoxy)-1-(2-butylsulfinylethyl)-3,6-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-(2-butylsulfinylethoxy)-1-(2-butylsulfinylethyl)-3,6-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-butylsulfinylethoxy)-1-(2-butylsulfinylethyl)-3,6-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H32N2O5S2
MOLECULAR WEIGHT: 420.58708
SMILES: CCCCS(=O)CCN1C(=C(C(=O)N(C1=O)C)OCCS(=O)CCCC)C
Structure:
CAS RN: 180274-08-2
CAS Name: 6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-isobutylsulfinylethoxy)-1,3-bis(2-isobutylsulfinylethyl)-6-methyl-pyrimidine-2,4-dione
IUPAC Name: 6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-5-[2-(2-methylpropylsulfinyl)ethoxy]-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C23H42N2O6S3
MOLECULAR WEIGHT: 538.78438
SMILES: CC1=C(C(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C)OCCS(=O)CC(C)C
Structure:
CAS RN: 180274-07-1
CAS Name: 5-hydroxy-6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
OPENEYE Name: 5-hydroxy-1,3-bis(2-isobutylsulfinylethyl)-6-methyl-pyrimidine-2,4-dione
IUPAC Name: 5-hydroxy-6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]-5-oxidanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H30N2O5S2
MOLECULAR WEIGHT: 406.5605
SMILES: CC1=C(C(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C)O
Structure:
CAS RN: 180274-06-0
CAS Name: 6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
OPENEYE Name: 1,3-bis(2-isobutylsulfinylethyl)-6-methyl-pyrimidine-2,4-dione
IUPAC Name: 6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-1,3-bis[2-(2-methylpropylsulfinyl)ethyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H30N2O4S2
MOLECULAR WEIGHT: 390.5611
SMILES: CC1=CC(=O)N(C(=O)N1CCS(=O)CC(C)C)CCS(=O)CC(C)C
Structure:
CAS RN: 180274-05-9
CAS Name: 6-methyl-3-[2-(2-methylpropylsulfinyl)ethyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-(2-isobutylsulfinylethyl)-6-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-methyl-3-[2-(2-methylpropylsulfinyl)ethyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-3-[2-(2-methylpropylsulfinyl)ethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H18N2O3S
MOLECULAR WEIGHT: 258.33722
SMILES: CC1=CC(=O)N(C(=O)N1)CCS(=O)CC(C)C
Structure:
CAS RN: 180179-68-4
CAS Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]-4-methylpentanoic acid; morpholine
OPENEYE Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]-4-methyl-pentanoic acid; morpholine
IUPAC Name: (2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-4-methylpentanoic acid; morpholine
SYSTEMATIC NAME: (2S)-2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-4-methyl-pentanoic acid; morpholine
MOLECULAR FORMULA: C20H25ClN2O5
MOLECULAR WEIGHT: 408.8759
SMILES: CC(C)C[C@@H](C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl.C1COCCN1
Structure:
CAS RN: 180179-66-2
CAS Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]-3-methylbutanoic acid; morpholine
OPENEYE Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]-3-methyl-butanoic acid; morpholine
IUPAC Name: (2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid; morpholine
SYSTEMATIC NAME: (2S)-2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-3-methyl-butanoic acid; morpholine
MOLECULAR FORMULA: C19H23ClN2O5
MOLECULAR WEIGHT: 394.84932
SMILES: CC(C)[C@@H](C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl.C1COCCN1
Structure:
CAS RN: 180179-64-0
CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]acetic acid; morpholine
OPENEYE Name: 2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]acetic acid; morpholine
IUPAC Name: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid; morpholine
SYSTEMATIC NAME: 2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]ethanoic acid; morpholine
MOLECULAR FORMULA: C16H17ClN2O5
MOLECULAR WEIGHT: 352.76958
SMILES: C1COCCN1.C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC(=O)O
Structure:
CAS RN: 180179-63-9
CAS Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]pentanedioic acid
OPENEYE Name: (2S)-2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]pentanedioic acid
IUPAC Name: (2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]pentanedioic acid
MOLECULAR FORMULA: C15H12ClNO6
MOLECULAR WEIGHT: 337.71188
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 179902-33-1
CAS Name: (3R,4S,5R)-2-(dimethylamino)oxane-3,4,5-triol hydrochloride
OPENEYE Name: (3R,4S,5R)-2-(dimethylamino)tetrahydropyran-3,4,5-triol hydrochloride
IUPAC Name: (3R,4S,5R)-2-(dimethylamino)oxane-3,4,5-triol hydrochloride
SYSTEMATIC NAME: (3R,4S,5R)-2-(dimethylamino)oxane-3,4,5-triol hydrochloride
MOLECULAR FORMULA: C7H16ClNO4
MOLECULAR WEIGHT: 213.65924
SMILES: CN(C)C1[C@@H]([C@H]([C@@H](CO1)O)O)O.Cl
Structure:
CAS RN: 178880-04-1
CAS Name: 5-sulfamoyl-1H-pyrazole-4-carboxylic acid
OPENEYE Name: 5-sulfamoyl-1H-pyrazole-4-carboxylic acid
IUPAC Name: 5-sulfamoyl-1H-pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-sulfamoyl-1H-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C4H5N3O4S
MOLECULAR WEIGHT: 191.1652
SMILES: C1=NNC(=C1C(=O)O)S(=O)(=O)N
Structure:
CAS RN: 178880-03-0
CAS Name: 1-methyl-3-[methyl(2-pyridinyl)sulfamoyl]-4-pyrazolecarboxylic acid
OPENEYE Name: 1-methyl-3-[methyl(2-pyridyl)sulfamoyl]pyrazole-4-carboxylic acid
IUPAC Name: 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H12N4O4S
MOLECULAR WEIGHT: 296.30238
SMILES: CN1C=C(C(=N1)S(=O)(=O)N(C)C2=CC=CC=N2)C(=O)O
Structure:
CAS RN: 178880-02-9
CAS Name: 1-methyl-3-[methyl(2-pyridinyl)sulfamoyl]-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-methyl-3-[methyl(2-pyridyl)sulfamoyl]pyrazole-4-carboxylate
IUPAC Name: ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate
MOLECULAR FORMULA: C13H16N4O4S
MOLECULAR WEIGHT: 324.35554
SMILES: CCOC(=O)C1=CN(N=C1S(=O)(=O)N(C)C2=CC=CC=N2)C
Structure:
CAS RN: 178880-01-8
CAS Name: 1-methyl-3-(2-pyridinylsulfamoyl)-4-pyrazolecarboxylic acid
OPENEYE Name: 1-methyl-3-(2-pyridylsulfamoyl)pyrazole-4-carboxylic acid
IUPAC Name: 1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C10H10N4O4S
MOLECULAR WEIGHT: 282.2758
SMILES: CN1C=C(C(=N1)S(=O)(=O)NC2=CC=CC=N2)C(=O)O
Structure:
CAS RN: 178880-00-7
CAS Name: 1-methyl-3-(2-pyridinylsulfamoyl)-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-methyl-3-(2-pyridylsulfamoyl)pyrazole-4-carboxylate
IUPAC Name: ethyl 1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C12H14N4O4S
MOLECULAR WEIGHT: 310.32896
SMILES: CCOC(=O)C1=CN(N=C1S(=O)(=O)NC2=CC=CC=N2)C
Structure:
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