CAS RN: 37489-46-6
CAS Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CC1=CC(NC(=S)N1C2=CC=C(C=C2)O)(C)C
Structure:
CAS RN: 4290-38-4
CAS Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CC1=CC(NC(=S)N1C2=CC=C(C=C2)O)(C)C
Structure:
CAS RN: 247128-18-3
CAS Name: 1-(2-phenylethyl)piperazine-2,6-dione
OPENEYE Name: 1-(2-phenylethyl)piperazine-2,6-dione
IUPAC Name: 1-(2-phenylethyl)piperazine-2,6-dione
SYSTEMATIC NAME: 1-(2-phenylethyl)piperazine-2,6-dione
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: C1C(=O)N(C(=O)CN1)CCC2=CC=CC=C2
Structure:
CAS RN: 23474-69-3
CAS Name: (4R,5R)-4,5-dihydroxy-1,3-dimethyl-2-imidazolidinone
OPENEYE Name: (4R,5R)-4,5-dihydroxy-1,3-dimethyl-imidazolidin-2-one
IUPAC Name: (4R,5R)-4,5-dihydroxy-1,3-dimethylimidazolidin-2-one
SYSTEMATIC NAME: (4R,5R)-1,3-dimethyl-4,5-bis(oxidanyl)imidazolidin-2-one
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: CN1[C@@H]([C@H](N(C1=O)C)O)O
Structure:
CAS RN: 127040-57-7
CAS Name: 1-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolidinone
OPENEYE Name: 1-(2-morpholino-2-oxo-ethyl)pyrrolidin-2-one
IUPAC Name: 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: C1CC(=O)N(C1)CC(=O)N2CCOCC2
Structure:
CAS RN: 5307-74-4
CAS Name: (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-5-oxazolone
OPENEYE Name: (4Z)-4-[[4-(dimethylamino)phenyl]methylene]-2-(4-nitrophenyl)oxazol-5-one
IUPAC Name: (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H15N3O4
MOLECULAR WEIGHT: 337.3294
SMILES: CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 59215-20-2
CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]ethanone
OPENEYE Name: 1-(4-morpholinosulfonylphenyl)ethanone
IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-morpholin-4-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C12H15NO4S
MOLECULAR WEIGHT: 269.3168
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
Structure:
CAS RN: 131814-58-9
CAS Name: 3-(4-fluorophenyl)-7-propan-2-yloxy-1-benzopyran-4-one
OPENEYE Name: 3-(4-fluorophenyl)-7-isopropoxy-chromen-4-one
IUPAC Name: 3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)-7-propan-2-yloxy-chromen-4-one
MOLECULAR FORMULA: C18H15FO3
MOLECULAR WEIGHT: 298.308303
SMILES: CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F
Structure:
CAS RN: 119927-64-9
CAS Name: 3-hydroxy-2,4-dihydro-1,5,3$l^{5}-benzodioxaphosphepin 3-oxide
OPENEYE Name: 3-hydroxy-2,4-dihydro-1,5,3$l^{5}-benzodioxaphosphepine 3-oxide
IUPAC Name: 3-hydroxy-2,4-dihydro-1,5,3$l^{5}-benzodioxaphosphepine 3-oxide
SYSTEMATIC NAME: 3-oxidanyl-2,4-dihydro-1,5,3$l^{5}-benzodioxaphosphepine 3-oxide
MOLECULAR FORMULA: C8H9O4P
MOLECULAR WEIGHT: 200.128421
SMILES: C1OC2=CC=CC=C2OCP1(=O)O
Structure:
CAS RN: 307-59-5
CAS Name: 6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H8BrN5
MOLECULAR WEIGHT: 266.09732
SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)Br
Structure:
CAS RN: 51765-51-6
CAS Name: 2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
OPENEYE Name: 2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
MOLECULAR FORMULA: C12H8N2O2
MOLECULAR WEIGHT: 212.20412
SMILES: CC(=C(C#N)C#N)C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 109220-81-7
CAS Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
OPENEYE Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
IUPAC Name: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
SYSTEMATIC NAME: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
MOLECULAR FORMULA: C13H16N4
MOLECULAR WEIGHT: 228.29294
SMILES: C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)N
Structure:
CAS RN: 137988-07-9
CAS Name: acetic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester
OPENEYE Name: (4-oxo-3-phenoxy-chromen-7-yl) acetate
IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) acetate
SYSTEMATIC NAME: (4-oxidanylidene-3-phenoxy-chromen-7-yl) ethanoate
MOLECULAR FORMULA: C17H12O5
MOLECULAR WEIGHT: 296.27418
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
Structure:
CAS RN: 6067-21-6
CAS Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C16H15N3O2S2
MOLECULAR WEIGHT: 345.4392
SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3
Structure:
CAS RN: 137460-60-7
CAS Name: acetic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester
OPENEYE Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) acetate
IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
SYSTEMATIC NAME: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) ethanoate
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=CC=C3
Structure:
CAS RN: 425402-25-1
CAS Name: 2,4-dimethyl-N-(4-oxo-1-cyclohexa-2,5-dienylidene)benzenesulfonamide
OPENEYE Name: 2,4-dimethyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
IUPAC Name: 2,4-dimethyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SYSTEMATIC NAME: 2,4-dimethyl-N-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C=C2)C
Structure:
CAS RN: 5183-02-8
CAS Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-2-propenamide
OPENEYE Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
IUPAC Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C18H13F3N2O2
MOLECULAR WEIGHT: 346.30323
SMILES: COC1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 67800-86-6
CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester
OPENEYE Name: 1,3-benzothiazol-2-ylmethyl 4-oxochromene-2-carboxylate
IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-oxochromene-2-carboxylate
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidenechromene-2-carboxylate
MOLECULAR FORMULA: C18H11NO4S
MOLECULAR WEIGHT: 337.34924
SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC3=NC4=CC=CC=C4S3
Structure:
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