CAS RN: 3842-20-4
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetonitrile
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)acetonitrile
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanenitrile
MOLECULAR FORMULA: C10H6N2O2
MOLECULAR WEIGHT: 186.16684
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC#N
Structure:
CAS RN: 5841-70-3
CAS Name: 3-oxo-2-phenylpropanenitrile
OPENEYE Name: 3-oxo-2-phenyl-propanenitrile
IUPAC Name: 3-oxo-2-phenylpropanenitrile
SYSTEMATIC NAME: 3-oxidanylidene-2-phenyl-propanenitrile
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C(C=C1)C(C=O)C#N
Structure:
CAS RN: 397-58-0
CAS Name: 2-fluoro-10H-phenothiazine
OPENEYE Name: 2-fluoro-10H-phenothiazine
IUPAC Name: 2-fluoro-10H-phenothiazine
SYSTEMATIC NAME: 2-fluoranyl-10H-phenothiazine
MOLECULAR FORMULA: C12H8FNS
MOLECULAR WEIGHT: 217.262023
SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)F
Structure:
CAS RN: 23056-47-5
CAS Name: 2-bromo-4-methyl-5-nitropyridine
OPENEYE Name: 2-bromo-4-methyl-5-nitro-pyridine
IUPAC Name: 2-bromo-4-methyl-5-nitropyridine
SYSTEMATIC NAME: 2-bromanyl-4-methyl-5-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: CC1=CC(=NC=C1[N+](=O)[O-])Br
Structure:
CAS RN: 1099-76-9
CAS Name: N,4-dimethyl-N-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzenesulfonamide
OPENEYE Name: N,4-dimethyl-N-[[methyl(p-tolylsulfonyl)amino]methyl]benzenesulfonamide
IUPAC Name: N,4-dimethyl-N-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzenesulfonamide
SYSTEMATIC NAME: N,4-dimethyl-N-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzenesulfonamide
MOLECULAR FORMULA: C17H22N2O4S2
MOLECULAR WEIGHT: 382.49758
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CN(C)S(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 18027-92-4
CAS Name: ethanethioic acid S-[3-[3-(acetylthio)propyl-dimethylsilyl]propyl] ester
OPENEYE Name: S-[3-[3-acetylsulfanylpropyl(dimethyl)silyl]propyl] ethanethioate
IUPAC Name: S-[3-[3-acetylsulfanylpropyl(dimethyl)silyl]propyl] ethanethioate
SYSTEMATIC NAME: S-[3-[3-ethanoylsulfanylpropyl(dimethyl)silyl]propyl] ethanethioate
MOLECULAR FORMULA: C12H24O2S2Si
MOLECULAR WEIGHT: 292.53326
SMILES: CC(=O)SCCC[Si](C)(C)CCCSC(=O)C
Structure:
CAS RN: 15499-90-8
CAS Name: 1,3,5-triazinane-1,3,5-tricarboxylic acid triethyl ester
OPENEYE Name: triethyl 1,3,5-triazinane-1,3,5-tricarboxylate
IUPAC Name: triethyl 1,3,5-triazinane-1,3,5-tricarboxylate
SYSTEMATIC NAME: triethyl 1,3,5-triazinane-1,3,5-tricarboxylate
MOLECULAR FORMULA: C12H21N3O6
MOLECULAR WEIGHT: 303.31164
SMILES: CCOC(=O)N1CN(CN(C1)C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 607-92-1
CAS Name: N-(2,6-dimethylphenyl)formamide
OPENEYE Name: N-(2,6-dimethylphenyl)formamide
IUPAC Name: N-(2,6-dimethylphenyl)formamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)methanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=C(C(=CC=C1)C)NC=O
Structure:
CAS RN: 7702-67-2
CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-7H-purin-6-one
OPENEYE Name: 1-[2-(p-tolylsulfanyl)ethyl]-7H-purin-6-one
IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purin-6-one
MOLECULAR FORMULA: C14H14N4OS
MOLECULAR WEIGHT: 286.35216
SMILES: CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=O)NC=N3
Structure:
CAS RN: 7461-80-5
CAS Name: 2-(dimethylamino)-9-(phenylmethyl)-3H-purin-6-one
OPENEYE Name: 9-benzyl-2-(dimethylamino)-3H-purin-6-one
IUPAC Name: 9-benzyl-2-(dimethylamino)-3H-purin-6-one
SYSTEMATIC NAME: 2-(dimethylamino)-9-(phenylmethyl)-3H-purin-6-one
MOLECULAR FORMULA: C14H15N5O
MOLECULAR WEIGHT: 269.3018
SMILES: CN(C)C1=NC(=O)C2=C(N1)N(C=N2)CC3=CC=CC=C3
Structure:
CAS RN: 20761-71-1
CAS Name: 1-(2-chloroethylthio)-4-methylbenzene
OPENEYE Name: 1-(2-chloroethylsulfanyl)-4-methyl-benzene
IUPAC Name: 1-(2-chloroethylsulfanyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(2-chloroethylsulfanyl)-4-methyl-benzene
MOLECULAR FORMULA: C9H11ClS
MOLECULAR WEIGHT: 186.70164
SMILES: CC1=CC=C(C=C1)SCCCl
Structure:
CAS RN: 7461-79-2
CAS Name: N-[4-amino-6-(phenylmethylthio)-5-pyrimidinyl]-N-(phenylmethyl)formamide
OPENEYE Name: N-(4-amino-6-benzylsulfanyl-pyrimidin-5-yl)-N-benzyl-formamide
IUPAC Name: N-(4-amino-6-benzylsulfanylpyrimidin-5-yl)-N-benzylformamide
SYSTEMATIC NAME: N-[4-azanyl-6-(phenylmethylsulfanyl)pyrimidin-5-yl]-N-(phenylmethyl)methanamide
MOLECULAR FORMULA: C19H18N4OS
MOLECULAR WEIGHT: 350.43742
SMILES: C1=CC=C(C=C1)CN(C=O)C2=C(N=CN=C2SCC3=CC=CC=C3)N
Structure:
CAS RN: 7461-78-1
CAS Name: 4-amino-N-(4-hexoxyphenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(4-hexoxyphenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(4-hexoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(4-hexoxyphenyl)benzenesulfonamide
MOLECULAR FORMULA: C18H24N2O3S
MOLECULAR WEIGHT: 348.45976
SMILES: CCCCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 7508-69-2
CAS Name: 6-methyl-N2,N2-bis(prop-2-enyl)quinazoline-2,4-diamine
OPENEYE Name: N2,N2-diallyl-6-methyl-quinazoline-2,4-diamine
IUPAC Name: 6-methyl-2-N,2-N-bis(prop-2-enyl)quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-methyl-N2,N2-bis(prop-2-enyl)quinazoline-2,4-diamine
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: CC1=CC2=C(C=C1)N=C(N=C2N)N(CC=C)CC=C
Structure:
CAS RN: 7461-77-0
CAS Name: N2,N2-diethylquinazoline-2,4-diamine
OPENEYE Name: N2,N2-diethylquinazoline-2,4-diamine
IUPAC Name: 2-N,2-N-diethylquinazoline-2,4-diamine
SYSTEMATIC NAME: N2,N2-diethylquinazoline-2,4-diamine
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: CCN(CC)C1=NC2=CC=CC=C2C(=N1)N
Structure:
CAS RN: 78525-36-7
CAS Name: 1-chloro-4-[1,2,2-tris(4-chlorophenyl)ethenyl]benzene
OPENEYE Name: 1-chloro-4-[1,2,2-tris(4-chlorophenyl)vinyl]benzene
IUPAC Name: 1-chloro-4-[1,2,2-tris(4-chlorophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[1,2,2-tris(4-chlorophenyl)ethenyl]benzene
MOLECULAR FORMULA: C26H16Cl4
MOLECULAR WEIGHT: 470.21724
SMILES: C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl
Structure:
CAS RN: 56106-05-9
CAS Name: 4-(4-methoxyanilino)-4-oxobutanoic acid
OPENEYE Name: 4-(4-methoxyanilino)-4-oxo-butanoic acid
IUPAC Name: 4-(4-methoxyanilino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: COC1=CC=C(C=C1)NC(=O)CCC(=O)O
Structure:
CAS RN: 2314-80-9
CAS Name: 1-(4-methoxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-methoxyphenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-methoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: COC1=CC=C(C=C1)N2C(=O)CCC2=O
Structure:
CAS RN: 7461-76-9
CAS Name: acetic acid [4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] ester
OPENEYE Name: [4,5-diacetoxy-2-(2,4,5-triacetoxyphenyl)phenyl] acetate
IUPAC Name: [4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-2-(2,4,5-triacetyloxyphenyl)phenyl] ethanoate
MOLECULAR FORMULA: C24H22O12
MOLECULAR WEIGHT: 502.42428
SMILES: CC(=O)OC1=CC(=C(C=C1C2=CC(=C(C=C2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7461-73-6
CAS Name: 5-tert-butyl-2,2-diphenyl-1,3-benzodioxole
OPENEYE Name: 5-tert-butyl-2,2-diphenyl-1,3-benzodioxole
IUPAC Name: 5-tert-butyl-2,2-diphenyl-1,3-benzodioxole
SYSTEMATIC NAME: 5-tert-butyl-2,2-diphenyl-1,3-benzodioxole
MOLECULAR FORMULA: C23H22O2
MOLECULAR WEIGHT: 330.41958
SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
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