CAS RN: 33199-40-5
CAS Name: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazol-3-one
OPENEYE Name: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazol-3-one
IUPAC Name: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazol-3-one
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazol-3-one
MOLECULAR FORMULA: C8H6ClN3O
MOLECULAR WEIGHT: 195.60574
SMILES: C1=CC(=CC=C1C2=NC(=O)NN2)Cl
Structure:
CAS RN: 62036-14-0
CAS Name: 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
OPENEYE Name: 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
IUPAC Name: 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazole
MOLECULAR FORMULA: C10H9Cl2N3O
MOLECULAR WEIGHT: 258.10396
SMILES: CCOC1=NNC(=N1)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 61366-84-5
CAS Name: 5-(1-hydroxy-3-methyl-1-cyclohex-2-enyl)-2,2,5-trimethyl-1,3-dioxolan-4-one
OPENEYE Name: 5-(1-hydroxy-3-methyl-cyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
IUPAC Name: 5-(1-hydroxy-3-methylcyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
SYSTEMATIC NAME: 2,2,5-trimethyl-5-(3-methyl-1-oxidanyl-cyclohex-2-en-1-yl)-1,3-dioxolan-4-one
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CC1=CC(CCC1)(C2(C(=O)OC(O2)(C)C)C)O
Structure:
CAS RN: 54624-25-8
CAS Name: 1,2,3,4-tetrachloro-5-cyclopentylidenecyclopenta-1,3-diene
OPENEYE Name: 1,2,3,4-tetrachloro-5-cyclopentylidene-cyclopenta-1,3-diene
IUPAC Name: 1,2,3,4-tetrachloro-5-cyclopentylidenecyclopenta-1,3-diene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-5-cyclopentylidene-cyclopenta-1,3-diene
MOLECULAR FORMULA: C10H8Cl4
MOLECULAR WEIGHT: 269.98252
SMILES: C1CCC(=C2C(=C(C(=C2Cl)Cl)Cl)Cl)C1
Structure:
CAS RN: 61830-79-3
CAS Name: 2-(5,7-dimethyl-2-imidazo[1,2-c]pyrimidinyl)acetic acid
OPENEYE Name: 2-(5,7-dimethylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
IUPAC Name: 2-(5,7-dimethylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
SYSTEMATIC NAME: 2-(5,7-dimethylimidazo[1,2-c]pyrimidin-2-yl)ethanoic acid
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CC1=CC2=NC(=CN2C(=N1)C)CC(=O)O
Structure:
CAS RN: 61830-75-9
CAS Name: 2-(7-methyl-2-imidazo[1,2-a]pyrimidinyl)acetic acid
OPENEYE Name: 2-(7-methylimidazo[1,2-a]pyrimidin-2-yl)acetic acid
IUPAC Name: 2-(7-methylimidazo[1,2-a]pyrimidin-2-yl)acetic acid
SYSTEMATIC NAME: 2-(7-methylimidazo[1,2-a]pyrimidin-2-yl)ethanoic acid
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: CC1=NC2=NC(=CN2C=C1)CC(=O)O
Structure:
CAS RN: 34971-13-6
CAS Name: 3-cyano-1-pyrrolo[2,1-a]isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
IUPAC Name: methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
SYSTEMATIC NAME: methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C#N
Structure:
CAS RN: 62416-20-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CC(C)C1=CC=C2C3(CCC(CC3CC4C2(C1=O)O4)O)C
Structure:
CAS RN: 60691-95-4
CAS Name: 1-acetyl-10H-phenazin-2-one
OPENEYE Name: 1-acetyl-10H-phenazin-2-one
IUPAC Name: 1-acetyl-10H-phenazin-2-one
SYSTEMATIC NAME: 1-ethanoyl-10H-phenazin-2-one
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: CC(=O)C1=C2C(=NC3=CC=CC=C3N2)C=CC1=O
Structure:
CAS RN: 38427-91-7
CAS Name: N-(2-phenylethenyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-styrylcarbamate
IUPAC Name: tert-butyl N-(2-phenylethenyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-phenylethenyl)carbamate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CC(C)(C)OC(=O)NC=CC1=CC=CC=C1
Structure:
CAS RN: 68845-93-2
CAS Name: [4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
OPENEYE Name: [4-(2-hydroxy-4-methoxy-phenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
IUPAC Name: [4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [4-(4-methoxy-2-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C12H12N4O3
MOLECULAR WEIGHT: 260.24868
SMILES: COC1=CC(=C(C=C1)C2CC(=O)NC(=N2)NC#N)O
Structure:
CAS RN: 68845-92-1
CAS Name: 2-amino-4-(2-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-4-(2-hydroxy-4-methoxy-phenyl)-4,5-dihydro-1H-pyrimidin-6-one
IUPAC Name: 2-amino-4-(2-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-4-(4-methoxy-2-oxidanyl-phenyl)-4,5-dihydro-1H-pyrimidin-6-one
MOLECULAR FORMULA: C11H13N3O3
MOLECULAR WEIGHT: 235.23922
SMILES: COC1=CC(=C(C=C1)C2CC(=O)NC(=N2)N)O
Structure:
CAS RN: 68845-90-9
CAS Name: [4-(2-hydroxy-5-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
OPENEYE Name: [4-(2-hydroxy-5-methyl-phenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
IUPAC Name: [4-(2-hydroxy-5-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [4-(5-methyl-2-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: CC1=CC(=C(C=C1)O)C2CC(=O)NC(=N2)NC#N
Structure:
CAS RN: 68845-89-6
CAS Name: 2-amino-4-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-4-(2-hydroxy-5-methyl-phenyl)-4,5-dihydro-1H-pyrimidin-6-one
IUPAC Name: 2-amino-4-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-4-(5-methyl-2-oxidanyl-phenyl)-4,5-dihydro-1H-pyrimidin-6-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CC1=CC(=C(C=C1)O)C2CC(=O)NC(=N2)N
Structure:
CAS RN: 68867-86-7
CAS Name: [4-(2-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
OPENEYE Name: [4-(2-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
IUPAC Name: [4-(2-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [4-(2-hydroxyphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C11H10N4O2
MOLECULAR WEIGHT: 230.2227
SMILES: C1C(N=C(NC1=O)NC#N)C2=CC=CC=C2O
Structure:
CAS RN: 68845-87-4
CAS Name: 2-amino-4-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-4-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
IUPAC Name: 2-amino-4-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-4-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1C(N=C(NC1=O)N)C2=CC=CC=C2O
Structure:
CAS RN: 61466-16-8
CAS Name: 2-methyl-5H-[1]benzopyrano[4,3-d]pyrimidin-5-ol
OPENEYE Name: 2-methyl-5H-chromeno[4,3-d]pyrimidin-5-ol
IUPAC Name: 2-methyl-5H-chromeno[4,3-d]pyrimidin-5-ol
SYSTEMATIC NAME: 2-methyl-5H-chromeno[4,3-d]pyrimidin-5-ol
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: CC1=NC=C2C(OC3=CC=CC=C3C2=N1)O
Structure:
CAS RN: 66685-32-3
CAS Name: 2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)aniline
OPENEYE Name: 2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)aniline
IUPAC Name: 2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C10H8F3N3
MOLECULAR WEIGHT: 227.18583
SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C2=CC=NN2
Structure:
CAS RN: 72570-93-5
CAS Name: 4-bromobenzoic acid [4-(3-oxonon-1-enyl)phenyl] ester
OPENEYE Name: [4-(3-oxonon-1-enyl)phenyl] 4-bromobenzoate
IUPAC Name: [4-(3-oxonon-1-enyl)phenyl] 4-bromobenzoate
SYSTEMATIC NAME: [4-(3-oxidanylidenenon-1-enyl)phenyl] 4-bromanylbenzoate
MOLECULAR FORMULA: C22H23BrO3
MOLECULAR WEIGHT: 415.32022
SMILES: CCCCCCC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 72570-92-4
CAS Name: 4-cyanobenzoic acid [4-(3-oxonon-1-enyl)phenyl] ester
OPENEYE Name: [4-(3-oxonon-1-enyl)phenyl] 4-cyanobenzoate
IUPAC Name: [4-(3-oxonon-1-enyl)phenyl] 4-cyanobenzoate
SYSTEMATIC NAME: [4-(3-oxidanylidenenon-1-enyl)phenyl] 4-cyanobenzoate
MOLECULAR FORMULA: C23H23NO3
MOLECULAR WEIGHT: 361.43362
SMILES: CCCCCCC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 72570-95-7
CAS Name: 4-methoxybenzoic acid [4-(3-oxonon-1-enyl)phenyl] ester
OPENEYE Name: [4-(3-oxonon-1-enyl)phenyl] 4-methoxybenzoate
IUPAC Name: [4-(3-oxonon-1-enyl)phenyl] 4-methoxybenzoate
SYSTEMATIC NAME: [4-(3-oxidanylidenenon-1-enyl)phenyl] 4-methoxybenzoate
MOLECULAR FORMULA: C23H26O4
MOLECULAR WEIGHT: 366.45014
SMILES: CCCCCCC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 72570-94-6
CAS Name: 4-methylbenzoic acid [4-(3-oxonon-1-enyl)phenyl] ester
OPENEYE Name: [4-(3-oxonon-1-enyl)phenyl] 4-methylbenzoate
IUPAC Name: [4-(3-oxonon-1-enyl)phenyl] 4-methylbenzoate
SYSTEMATIC NAME: [4-(3-oxidanylidenenon-1-enyl)phenyl] 4-methylbenzoate
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: CCCCCCC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 32266-10-7
CAS Name: 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol; sulfuric acid
OPENEYE Name: 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]hexylamino]-1-hydroxy-ethyl]benzene-1,2-diol; sulfuric acid
IUPAC Name: 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol; sulfuric acid
SYSTEMATIC NAME: 4-[2-[6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]hexylamino]-1-oxidanyl-ethyl]benzene-1,2-diol; sulfuric acid
MOLECULAR FORMULA: C22H34N2O10S
MOLECULAR WEIGHT: 518.57776
SMILES: C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O
Structure:
CAS RN: 61355-06-4
CAS Name: 1-hydroxy-4-(methoxymethyl)-2-oxido-3,5-diphenylpyrazol-2-ium
OPENEYE Name: 1-hydroxy-4-(methoxymethyl)-2-oxido-3,5-diphenyl-pyrazol-2-ium
IUPAC Name: 1-hydroxy-4-(methoxymethyl)-2-oxido-3,5-diphenylpyrazol-2-ium
SYSTEMATIC NAME: 4-(methoxymethyl)-1-oxidanidyl-2-oxidanyl-3,5-diphenyl-pyrazol-1-ium
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: COCC1=C(N([N+](=C1C2=CC=CC=C2)[O-])O)C3=CC=CC=C3
Structure:
CAS RN: 61355-05-3
CAS Name: 1-hydroxy-4-(methoxymethyl)-3,5-diphenylpyrazole
OPENEYE Name: 1-hydroxy-4-(methoxymethyl)-3,5-diphenyl-pyrazole
IUPAC Name: 1-hydroxy-4-(methoxymethyl)-3,5-diphenylpyrazole
SYSTEMATIC NAME: 4-(methoxymethyl)-1-oxidanyl-3,5-diphenyl-pyrazole
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: COCC1=C(N(N=C1C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 61355-02-0
CAS Name: 4-chloro-4-methyl-1-oxido-3,5-diphenylpyrazol-1-ium
OPENEYE Name: 4-chloro-4-methyl-1-oxido-3,5-diphenyl-pyrazol-1-ium
IUPAC Name: 4-chloro-4-methyl-1-oxido-3,5-diphenylpyrazol-1-ium
SYSTEMATIC NAME: 4-chloranyl-4-methyl-1-oxidanidyl-3,5-diphenyl-pyrazol-1-ium
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: CC1(C(=N[N+](=C1C2=CC=CC=C2)[O-])C3=CC=CC=C3)Cl
Structure:
CAS RN: 62070-75-1
CAS Name: N,N-dimethyl-1-naphthalenecarbothioamide
OPENEYE Name: N,N-dimethylnaphthalene-1-carbothioamide
IUPAC Name: N,N-dimethylnaphthalene-1-carbothioamide
SYSTEMATIC NAME: N,N-dimethylnaphthalene-1-carbothioamide
MOLECULAR FORMULA: C13H13NS
MOLECULAR WEIGHT: 215.31402
SMILES: CN(C)C(=S)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 61366-83-4
CAS Name: 5-(1-hydroxy-1-cyclohex-2-enyl)-2,2,5-trimethyl-1,3-dioxolan-4-one
OPENEYE Name: 5-(1-hydroxycyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
IUPAC Name: 5-(1-hydroxycyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
SYSTEMATIC NAME: 2,2,5-trimethyl-5-(1-oxidanylcyclohex-2-en-1-yl)-1,3-dioxolan-4-one
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC1(OC(=O)C(O1)(C)C2(CCCC=C2)O)C
Structure:
CAS RN: 62060-06-4
CAS Name: 3-methyl-3-(methylseleno)-1,2-diphenyl-2-butanol
OPENEYE Name: 3-methyl-3-methylselanyl-1,2-diphenyl-butan-2-ol
IUPAC Name: 3-methyl-3-methylselanyl-1,2-diphenylbutan-2-ol
SYSTEMATIC NAME: 3-methyl-3-methylselanyl-1,2-diphenyl-butan-2-ol
MOLECULAR FORMULA: C18H22OSe
MOLECULAR WEIGHT: 333.32668
SMILES: CC(C)(C(CC1=CC=CC=C1)(C2=CC=CC=C2)O)[Se]C
Structure:
CAS RN: 62060-04-2
CAS Name: 5-(methylseleno)-4-propyl-4-undecanol
OPENEYE Name: 5-methylselanyl-4-propyl-undecan-4-ol
IUPAC Name: 5-methylselanyl-4-propylundecan-4-ol
SYSTEMATIC NAME: 5-methylselanyl-4-propyl-undecan-4-ol
MOLECULAR FORMULA: C15H32OSe
MOLECULAR WEIGHT: 307.37398
SMILES: CCCCCCC(C(CCC)(CCC)O)[Se]C
Structure:
CAS RN: 60221-19-4
CAS Name: 8-(methylseleno)-7-tetradecanol
OPENEYE Name: 8-methylselanyltetradecan-7-ol
IUPAC Name: 8-methylselanyltetradecan-7-ol
SYSTEMATIC NAME: 8-methylselanyltetradecan-7-ol
MOLECULAR FORMULA: C15H32OSe
MOLECULAR WEIGHT: 307.37398
SMILES: CCCCCCC(C(CCCCCC)[Se]C)O
Structure:
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