CAS RN: 72544-41-3
CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]-4-quinazolinone
OPENEYE Name: 2-[bis(2-chloroethyl)aminomethyl]-3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-phenyl]quinazolin-4-one
IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)aminomethyl]-3-[3-[bis(2-chloroethyl)aminomethyl]-4-oxidanyl-phenyl]quinazolin-4-one
MOLECULAR FORMULA: C24H28Cl4N4O2
MOLECULAR WEIGHT: 546.31672
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)CN(CCCl)CCCl)C3=CC(=C(C=C3)O)CN(CCCl)CCCl
Structure:
CAS RN: 69561-39-3
CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonyl-4-quinazolinone
OPENEYE Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-one
IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-one
SYSTEMATIC NAME: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylquinazolin-4-one
MOLECULAR FORMULA: C18H17Cl2N3O3S
MOLECULAR WEIGHT: 426.31688
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 69561-27-9
CAS Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]-4-quinazolinone
OPENEYE Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-phenyl]quinazolin-4-one
IUPAC Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one
SYSTEMATIC NAME: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-oxidanyl-phenyl]quinazolin-4-one
MOLECULAR FORMULA: C19H19Cl2N3O2
MOLECULAR WEIGHT: 392.27906
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)O)CN(CCCl)CCCl
Structure:
CAS RN: 69561-23-5
CAS Name: 3-[3-[(2-chloroethylamino)methyl]-4-ethoxyphenyl]-2-methyl-4-quinazolinone
OPENEYE Name: 3-[3-[(2-chloroethylamino)methyl]-4-ethoxy-phenyl]-2-methyl-quinazolin-4-one
IUPAC Name: 3-[3-[(2-chloroethylamino)methyl]-4-ethoxyphenyl]-2-methylquinazolin-4-one
SYSTEMATIC NAME: 3-[3-[(2-chloroethylamino)methyl]-4-ethoxy-phenyl]-2-methyl-quinazolin-4-one
MOLECULAR FORMULA: C20H22ClN3O2
MOLECULAR WEIGHT: 371.86058
SMILES: CCOC1=C(C=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)CNCCCl
Structure:
CAS RN: 4094-47-7
CAS Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
OPENEYE Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
IUPAC Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
SYSTEMATIC NAME: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
MOLECULAR FORMULA: C11H8F3NOS2
MOLECULAR WEIGHT: 291.31253
SMILES: C1CSC(=S)N(C1=O)C2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 73541-71-6
CAS Name: 6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[[(4-chlorophenyl)amino]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: C1=CC(=CC=C1NCC2=CC(=O)NC(=O)N2)Cl
Structure:
CAS RN: 73541-89-6
CAS Name: 6-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-[(2-chloro-5-methyl-phenoxy)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 6-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[(2-chloranyl-5-methyl-phenoxy)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H11ClN2O3
MOLECULAR WEIGHT: 266.68034
SMILES: CC1=CC(=C(C=C1)Cl)OCC2=CC(=O)NC(=O)N2
Structure:
CAS RN: 73541-84-1
CAS Name: 6-[(2-chlorophenoxy)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-[(2-chlorophenoxy)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 6-[(2-chlorophenoxy)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[(2-chloranylphenoxy)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H9ClN2O3
MOLECULAR WEIGHT: 252.65376
SMILES: C1=CC=C(C(=C1)OCC2=CC(=O)NC(=O)N2)Cl
Structure:
CAS RN: 73541-51-2
CAS Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
OPENEYE Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylamino]benzoic acid
MOLECULAR FORMULA: C12H11N3O4
MOLECULAR WEIGHT: 261.23344
SMILES: C1=CC=C(C(=C1)C(=O)O)NCC2=CC(=O)NC(=O)N2
Structure:
CAS RN: 73541-53-4
CAS Name: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
OPENEYE Name: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
IUPAC Name: 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]benzoic acid
SYSTEMATIC NAME: 4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylamino]benzoic acid
MOLECULAR FORMULA: C12H11N3O4
MOLECULAR WEIGHT: 261.23344
SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CC(=O)NC(=O)N2
Structure:
CAS RN: 20989-02-0
CAS Name: 6-(aminomethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-(aminomethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(aminomethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-(aminomethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: C1=C(NC(=O)NC1=O)CN
Structure:
CAS RN: 28273-34-9
CAS Name: 1-bromo-2,5-dihydrophosphole
OPENEYE Name: 1-bromo-2,5-dihydrophosphole
IUPAC Name: 1-bromo-2,5-dihydrophosphole
SYSTEMATIC NAME: 1-bromanyl-2,5-dihydrophosphole
MOLECULAR FORMULA: C4H6BrP
MOLECULAR WEIGHT: 164.968201
SMILES: C1C=CCP1Br
Structure:
CAS RN: 54362-31-1
CAS Name: 1-chloro-1,1,2,2-tetrafluoro-2-(trifluoromethyldioxy)ethane
OPENEYE Name: 1-chloro-1,1,2,2-tetrafluoro-2-(trifluoromethylperoxy)ethane
IUPAC Name: 1-chloro-1,1,2,2-tetrafluoro-2-(trifluoromethylperoxy)ethane
SYSTEMATIC NAME: 1-chloranyl-1,1,2,2-tetrakis(fluoranyl)-2-(trifluoromethylperoxy)ethane
MOLECULAR FORMULA: C3ClF7O2
MOLECULAR WEIGHT: 236.472722
SMILES: C(C(F)(F)Cl)(OOC(F)(F)F)(F)F
Structure:
CAS RN: 54362-32-2
CAS Name: 1,1-dichloro-1,2,2-trifluoro-2-(trifluoromethyldioxy)ethane
OPENEYE Name: 1,1-dichloro-1,2,2-trifluoro-2-(trifluoromethylperoxy)ethane
IUPAC Name: 1,1-dichloro-1,2,2-trifluoro-2-(trifluoromethylperoxy)ethane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-1,2,2-tris(fluoranyl)-2-(trifluoromethylperoxy)ethane
MOLECULAR FORMULA: C3Cl2F6O2
MOLECULAR WEIGHT: 252.927319
SMILES: C(C(F)(Cl)Cl)(OOC(F)(F)F)(F)F
Structure:
CAS RN: 54362-36-6
CAS Name: 1,1-dichloro-2-fluoro-2-(trifluoromethyldioxy)ethane
OPENEYE Name: 1,1-dichloro-2-fluoro-2-(trifluoromethylperoxy)ethane
IUPAC Name: 1,1-dichloro-2-fluoro-2-(trifluoromethylperoxy)ethane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-2-fluoranyl-2-(trifluoromethylperoxy)ethane
MOLECULAR FORMULA: C3H2Cl2F4O2
MOLECULAR WEIGHT: 216.946393
SMILES: C(C(Cl)Cl)(OOC(F)(F)F)F
Structure:
CAS RN: 3806-02-8
CAS Name: 2-aminoazulene-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2-aminoazulene-1,3-dicarboxylate
IUPAC Name: diethyl 2-aminoazulene-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 2-azanylazulene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CCOC(=O)C1=C2C=CC=CC=C2C(=C1N)C(=O)OCC
Structure:
CAS RN: 1157-45-5
CAS Name: 6-bromoazulene-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 6-bromoazulene-1,3-dicarboxylate
IUPAC Name: diethyl 6-bromoazulene-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 6-bromanylazulene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H15BrO4
MOLECULAR WEIGHT: 351.1919
SMILES: CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)Br)C(=O)OCC
Structure:
CAS RN: 3786-59-2
CAS Name: 3-cyano-2-hydroxy-1-azulenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate
IUPAC Name: ethyl 3-cyano-2-hydroxyazulene-1-carboxylate
SYSTEMATIC NAME: ethyl 3-cyano-2-oxidanyl-azulene-1-carboxylate
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CCOC(=O)C1=C2C=CC=CC=C2C(=C1O)C#N
Structure:
CAS RN: 13148-46-4
CAS Name: 6-aminoazulene-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 6-aminoazulene-1,3-dicarboxylate
IUPAC Name: diethyl 6-aminoazulene-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 6-azanylazulene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)N)C(=O)OCC
Structure:
CAS RN: 33831-72-0
CAS Name: 3-amino-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 3-amino-3-phenyl-prop-2-enoate
IUPAC Name: ethyl 3-amino-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl 3-azanyl-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CCOC(=O)C=C(C1=CC=CC=C1)N
Structure:
CAS RN: 40801-09-0
CAS Name: 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
IUPAC Name: dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 19838-99-4
CAS Name: 2-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-1-phenyl-1-propanimine
OPENEYE Name: 2-methyl-N-[(2-methyl-1-phenyl-propylidene)amino]-1-phenyl-propan-1-imine
IUPAC Name: 2-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-1-phenylpropan-1-imine
SYSTEMATIC NAME: 2-methyl-N-[(2-methyl-1-phenyl-propylidene)amino]-1-phenyl-propan-1-imine
MOLECULAR FORMULA: C20H24N2
MOLECULAR WEIGHT: 292.41796
SMILES: CC(C)C(=NN=C(C1=CC=CC=C1)C(C)C)C2=CC=CC=C2
Structure:
CAS RN: 21511-90-0
CAS Name: N-(1,2-diphenylethyl)acetamide
OPENEYE Name: N-(1,2-diphenylethyl)acetamide
IUPAC Name: N-(1,2-diphenylethyl)acetamide
SYSTEMATIC NAME: N-(1,2-diphenylethyl)ethanamide
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: CC(=O)NC(CC1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 1128-00-3
CAS Name: 2-amino-1-cyclohexenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-aminocyclohexene-1-carboxylate
IUPAC Name: ethyl 2-aminocyclohexene-1-carboxylate
SYSTEMATIC NAME: ethyl 2-azanylcyclohexene-1-carboxylate
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CCOC(=O)C1=C(CCCC1)N
Structure:
CAS RN: 55341-86-1
CAS Name: 2-bromo-N-tert-butyl-2-phenylacetamide
OPENEYE Name: 2-bromo-N-tert-butyl-2-phenyl-acetamide
IUPAC Name: 2-bromo-N-tert-butyl-2-phenylacetamide
SYSTEMATIC NAME: 2-bromanyl-N-tert-butyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C12H16BrNO
MOLECULAR WEIGHT: 270.16554
SMILES: CC(C)(C)NC(=O)C(C1=CC=CC=C1)Br
Structure:
CAS RN: 2845-82-1
CAS Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(4-pyridyl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CN=CC=C1C2=NNC(=O)O2
Structure:
CAS RN: 60838-24-6
CAS Name: 5-(2-pyridinyl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(2-pyridyl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-pyridin-2-yl-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-pyridin-2-yl-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC=NC(=C1)C2=NNC(=O)O2
Structure:
CAS RN: 83725-79-5
CAS Name: 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C8H5N3O4
MOLECULAR WEIGHT: 207.143
SMILES: C1=CC=C(C(=C1)C2=NNC(=O)O2)[N+](=O)[O-]
Structure:
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