CAS RN: 17232-50-7
CAS Name: 2-(1,1-dioxo-3-thiolanyl)-2-phenylacetonitrile
OPENEYE Name: 2-(1,1-dioxothiolan-3-yl)-2-phenyl-acetonitrile
IUPAC Name: 2-(1,1-dioxothiolan-3-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C12H13NO2S
MOLECULAR WEIGHT: 235.30212
SMILES: C1CS(=O)(=O)CC1C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 16033-28-6
CAS Name: 2-[2,6-bis(hydroxyamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[2,6-bis(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[2,6-bis(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O6
MOLECULAR WEIGHT: 314.25476
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2NO)NO
Structure:
CAS RN: 16033-31-1
CAS Name: 2-[2,6-bis(hydroxyamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[2,6-bis(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[2,6-bis(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O6
MOLECULAR WEIGHT: 314.25476
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2NO)NO
Structure:
CAS RN: 31576-33-7
CAS Name: 2-chloro-4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 2-chloro-4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 2-chloro-4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 4-[2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]ethyl]-2-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C21H26Cl2FN5O5S2
MOLECULAR WEIGHT: 582.496043
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C
Structure:
CAS RN: 31223-60-6
CAS Name: 3-chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 3-chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 3-chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]-3-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C20H24Cl2FN5O6S2
MOLECULAR WEIGHT: 584.468863
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C
Structure:
CAS RN: 21090-30-2
CAS Name: acetic acid [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C12H16N2O6
MOLECULAR WEIGHT: 284.26524
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC(=O)C
Structure:
CAS RN: 21199-25-7
CAS Name: acetic acid [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C12H16N2O6
MOLECULAR WEIGHT: 284.26524
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC(=O)C
Structure:
CAS RN: 13551-73-0
CAS Name: 5-chloro-1,3-dimethyl-4-nitropyrazole
OPENEYE Name: 5-chloro-1,3-dimethyl-4-nitro-pyrazole
IUPAC Name: 5-chloro-1,3-dimethyl-4-nitropyrazole
SYSTEMATIC NAME: 5-chloranyl-1,3-dimethyl-4-nitro-pyrazole
MOLECULAR FORMULA: C5H6ClN3O2
MOLECULAR WEIGHT: 175.57304
SMILES: CC1=NN(C(=C1[N+](=O)[O-])Cl)C
Structure:
CAS RN: 6946-52-7
CAS Name: 1-[3-methyl-4-(2-oxiranylmethoxy)phenyl]ethanone
OPENEYE Name: 1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
IUPAC Name: 1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC1=C(C=CC(=C1)C(=O)C)OCC2CO2
Structure:
CAS RN: 71518-19-9
CAS Name: 5-amino-3-methyl-4-imidazolesulfonamide
OPENEYE Name: 5-amino-3-methyl-imidazole-4-sulfonamide
IUPAC Name: 5-amino-3-methylimidazole-4-sulfonamide
SYSTEMATIC NAME: 5-azanyl-3-methyl-imidazole-4-sulfonamide
MOLECULAR FORMULA: C4H8N4O2S
MOLECULAR WEIGHT: 176.19692
SMILES: CN1C=NC(=C1S(=O)(=O)N)N
Structure:
CAS RN: 17333-85-6
CAS Name: 1,4-dioxaspiro[4.6]undec-10-ene
OPENEYE Name: 1,4-dioxaspiro[4.6]undec-10-ene
IUPAC Name: 1,4-dioxaspiro[4.6]undec-10-ene
SYSTEMATIC NAME: 1,4-dioxaspiro[4.6]undec-10-ene
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CCC2(C=CC1)OCCO2
Structure:
CAS RN: 19897-36-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H50O2
MOLECULAR WEIGHT: 454.7275
SMILES: CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1OC)C)C)(C)C)C)C
Structure:
CAS RN: 19902-59-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H52O2
MOLECULAR WEIGHT: 456.74338
SMILES: CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)O)(C)C)C)C
Structure:
CAS RN: 191712-81-9
CAS Name: 1-amino-1-methyl-3-(3-nitrophenyl)urea
OPENEYE Name: 1-amino-1-methyl-3-(3-nitrophenyl)urea
IUPAC Name: 1-amino-1-methyl-3-(3-nitrophenyl)urea
SYSTEMATIC NAME: 1-azanyl-1-methyl-3-(3-nitrophenyl)urea
MOLECULAR FORMULA: C8H10N4O3
MOLECULAR WEIGHT: 210.19
SMILES: CN(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N
Structure:
CAS RN: 33177-30-9
CAS Name: 1-(2-fluoroethyl)-3-(4-propan-2-ylcyclohexyl)urea
OPENEYE Name: 1-(2-fluoroethyl)-3-(4-isopropylcyclohexyl)urea
IUPAC Name: 1-(2-fluoroethyl)-3-(4-propan-2-ylcyclohexyl)urea
SYSTEMATIC NAME: 1-(2-fluoranylethyl)-3-(4-propan-2-ylcyclohexyl)urea
MOLECULAR FORMULA: C12H23FN2O
MOLECULAR WEIGHT: 230.322223
SMILES: CC(C)C1CCC(CC1)NC(=O)NCCF
Structure:
CAS RN: 33281-23-1
CAS Name: 1-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)urea
MOLECULAR FORMULA: C11H21ClN2O
MOLECULAR WEIGHT: 232.75024
SMILES: CC1(CCC(CC1)NC(=O)NCCCl)C
Structure:
CAS RN: 29769-49-1
CAS Name: N-(6-formyl-4-oxo-1H-pteridin-2-yl)acetamide
OPENEYE Name: N-(6-formyl-4-oxo-1H-pteridin-2-yl)acetamide
IUPAC Name: N-(6-formyl-4-oxo-1H-pteridin-2-yl)acetamide
SYSTEMATIC NAME: N-(6-methanoyl-4-oxidanylidene-1H-pteridin-2-yl)ethanamide
MOLECULAR FORMULA: C9H7N5O3
MOLECULAR WEIGHT: 233.18358
SMILES: CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)C=O
Structure:
CAS RN: 26197-31-9
CAS Name: 6-methyl-5-benzo[a]phenothiazinone
OPENEYE Name: 6-methylbenzo[a]phenothiazin-5-one
IUPAC Name: 6-methylbenzo[a]phenothiazin-5-one
SYSTEMATIC NAME: 6-methylbenzo[a]phenothiazin-5-one
MOLECULAR FORMULA: C17H11NOS
MOLECULAR WEIGHT: 277.34034
SMILES: CC1=C2C(=NC3=CC=CC=C3S2)C4=CC=CC=C4C1=O
Structure:
CAS RN: 21004-90-0
CAS Name: 2,4-dichloro-3-phenothiazinone
OPENEYE Name: 2,4-dichlorophenothiazin-3-one
IUPAC Name: 2,4-dichlorophenothiazin-3-one
SYSTEMATIC NAME: 2,4-bis(chloranyl)phenothiazin-3-one
MOLECULAR FORMULA: C12H5Cl2NOS
MOLECULAR WEIGHT: 282.1452
SMILES: C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Cl)Cl
Structure:
CAS RN: 91950-76-4
CAS Name: 1,4-dimethyl-3-phenothiazinone
OPENEYE Name: 1,4-dimethylphenothiazin-3-one
IUPAC Name: 1,4-dimethylphenothiazin-3-one
SYSTEMATIC NAME: 1,4-dimethylphenothiazin-3-one
MOLECULAR FORMULA: C14H11NOS
MOLECULAR WEIGHT: 241.30824
SMILES: CC1=CC(=O)C(=C2C1=NC3=CC=CC=C3S2)C
Structure:
CAS RN: 15515-58-9
CAS Name: 2-[(diphenylmethyl)thio]ethanamine
OPENEYE Name: 2-benzhydrylsulfanylethanamine
IUPAC Name: 2-benzhydrylsulfanylethanamine
SYSTEMATIC NAME: 2-(diphenylmethyl)sulfanylethanamine
MOLECULAR FORMULA: C15H17NS
MOLECULAR WEIGHT: 243.36718
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN
Structure:
CAS RN: 24765-68-2
CAS Name: 1,4-diphenyl-2-[(triphenylmethyl)thio]butane-1,4-dione
OPENEYE Name: 1,4-diphenyl-2-tritylsulfanyl-butane-1,4-dione
IUPAC Name: 1,4-diphenyl-2-tritylsulfanylbutane-1,4-dione
SYSTEMATIC NAME: 1,4-diphenyl-2-(triphenylmethyl)sulfanyl-butane-1,4-dione
MOLECULAR FORMULA: C35H28O2S
MOLECULAR WEIGHT: 512.66062
SMILES: C1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 53907-29-2
CAS Name: 3-mercapto-2-(phenylmethoxycarbonylamino)propanoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-3-sulfanyl-propanoic acid
IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoic acid
SYSTEMATIC NAME: 2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H13NO4S
MOLECULAR WEIGHT: 255.29022
SMILES: C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)O
Structure:
CAS RN: 885-77-8
CAS Name: bis(4-methylphenyl)methanol
OPENEYE Name: bis-p-tolylmethanol
IUPAC Name: bis(4-methylphenyl)methanol
SYSTEMATIC NAME: bis(4-methylphenyl)methanol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O
Structure:
CAS RN: 176738-98-0
CAS Name: 2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoic acid
IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C30H27NO4S
MOLECULAR WEIGHT: 497.60468
SMILES: C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
Structure:
CAS RN: 2918-67-4
CAS Name: 2-(2-chloro-4,5-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(2-chloro-4,5-dimethoxy-phenyl)acetic acid
IUPAC Name: 2-(2-chloro-4,5-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-chloranyl-4,5-dimethoxy-phenyl)ethanoic acid
MOLECULAR FORMULA: C10H11ClO4
MOLECULAR WEIGHT: 230.64494
SMILES: COC1=C(C=C(C(=C1)CC(=O)O)Cl)OC
Structure:
CAS RN: 68609-36-9
CAS Name: 2-(2-chloro-4,5-dimethoxyphenyl)acetyl chloride
OPENEYE Name: 2-(2-chloro-4,5-dimethoxy-phenyl)acetyl chloride
IUPAC Name: 2-(2-chloro-4,5-dimethoxyphenyl)acetyl chloride
SYSTEMATIC NAME: 2-(2-chloranyl-4,5-dimethoxy-phenyl)ethanoyl chloride
MOLECULAR FORMULA: C10H10Cl2O3
MOLECULAR WEIGHT: 249.0906
SMILES: COC1=C(C=C(C(=C1)CC(=O)Cl)Cl)OC
Structure:
CAS RN: 31222-64-7
CAS Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C20H25ClFN5O6S2
MOLECULAR WEIGHT: 550.023803
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C
Structure:
CAS RN: 26413-69-4
CAS Name: 6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
OPENEYE Name: 6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
IUPAC Name: 6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
SYSTEMATIC NAME: 6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
MOLECULAR FORMULA: C8H6N2O3
MOLECULAR WEIGHT: 178.14484
SMILES: CC1=CC2=C(C(=O)N1)C(=O)NC2=O
Structure:
CAS RN: 97068-28-5
CAS Name: 1-phenacyl-2-pyridinone
OPENEYE Name: 1-phenacylpyridin-2-one
IUPAC Name: 1-phenacylpyridin-2-one
SYSTEMATIC NAME: 1-phenacylpyridin-2-one
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: C1=CC=C(C=C1)C(=O)CN2C=CC=CC2=O
Structure:
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