CAS RN: 23537-54-4
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(methylthio)-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylsulfanyl-1H-pyrimidine-2,4-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methylsulfanyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O6S
MOLECULAR WEIGHT: 290.29296
SMILES: CSC1=CC(=O)N(C(=O)N1)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 21038-66-4
CAS Name: 1H-pyrido[2,3-d]pyrimidine-2,4-dione
OPENEYE Name: 1H-pyrido[2,3-d]pyrimidine-2,4-dione
IUPAC Name: 1H-pyrido[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1H-pyrido[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC2=C(NC(=O)NC2=O)N=C1
Structure:
CAS RN: 20776-51-6
CAS Name: 2-amino-3-bromobenzoic acid
OPENEYE Name: 2-amino-3-bromo-benzoic acid
IUPAC Name: 2-amino-3-bromobenzoic acid
SYSTEMATIC NAME: 2-azanyl-3-bromanyl-benzoic acid
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: C1=CC(=C(C(=C1)Br)N)C(=O)O
Structure:
CAS RN: 35951-28-1
CAS Name: 4-(dimethylaminoazo)benzenecarboximidamide
OPENEYE Name: 4-(dimethylaminoazo)benzamidine
IUPAC Name: 4-(dimethylaminodiazenyl)benzenecarboximidamide
SYSTEMATIC NAME: 4-(dimethylaminodiazenyl)benzenecarboximidamide
MOLECULAR FORMULA: C9H13N5
MOLECULAR WEIGHT: 191.23302
SMILES: CN(C)N=NC1=CC=C(C=C1)C(=N)N
Structure:
CAS RN: 427882-96-0
CAS Name: 6-chloro-9-[(4-nitrophenyl)methyl]purine
OPENEYE Name: 6-chloro-9-[(4-nitrophenyl)methyl]purine
IUPAC Name: 6-chloro-9-[(4-nitrophenyl)methyl]purine
SYSTEMATIC NAME: 6-chloranyl-9-[(4-nitrophenyl)methyl]purine
MOLECULAR FORMULA: C12H8ClN5O2
MOLECULAR WEIGHT: 289.67722
SMILES: C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)[N+](=O)[O-]
Structure:
CAS RN: 33161-95-4
CAS Name: 1-(2-chloroethyl)-3-(4-oxanyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-tetrahydropyran-4-yl-urea
IUPAC Name: 1-(2-chloroethyl)-3-(oxan-4-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(oxan-4-yl)urea
MOLECULAR FORMULA: C8H15ClN2O2
MOLECULAR WEIGHT: 206.6699
SMILES: C1COCCC1NC(=O)NCCCl
Structure:
CAS RN: 56637-95-7
CAS Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-oxidanylcyclohexyl)urea
MOLECULAR FORMULA: C9H17ClN2O2
MOLECULAR WEIGHT: 220.69648
SMILES: C1CC(CCC1NC(=O)NCCCl)O
Structure:
CAS RN: 33082-86-9
CAS Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-oxidanylcyclohexyl)urea
MOLECULAR FORMULA: C9H17ClN2O2
MOLECULAR WEIGHT: 220.69648
SMILES: C1CC(CCC1NC(=O)NCCCl)O
Structure:
CAS RN: 56239-23-7
CAS Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-oxidanylcyclohexyl)urea
MOLECULAR FORMULA: C9H17ClN2O2
MOLECULAR WEIGHT: 220.69648
SMILES: C1CC(CCC1NC(=O)NCCCl)O
Structure:
CAS RN: 19359-16-1
CAS Name: N-[8-[5-(diethylamino)pentan-2-ylamino]-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[8-[[4-(diethylamino)-1-methyl-butyl]amino]pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC Name: ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
SYSTEMATIC NAME: ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
MOLECULAR FORMULA: C19H30N6O2
MOLECULAR WEIGHT: 374.4805
SMILES: CCN(CC)CCCC(C)NC1=CC(=NC2=NC=CN=C12)NC(=O)OCC
Structure:
CAS RN: 25787-46-6
CAS Name: N-[4-hydroxy-2-(hydroxymethyl)-5-methoxy-3-oxolanyl]-N-methylacetamide
OPENEYE Name: N-[4-hydroxy-2-(hydroxymethyl)-5-methoxy-tetrahydrofuran-3-yl]-N-methyl-acetamide
IUPAC Name: N-[4-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]-N-methylacetamide
SYSTEMATIC NAME: N-[2-(hydroxymethyl)-5-methoxy-4-oxidanyl-oxolan-3-yl]-N-methyl-ethanamide
MOLECULAR FORMULA: C9H17NO5
MOLECULAR WEIGHT: 219.23498
SMILES: CC(=O)N(C)C1C(OC(C1O)OC)CO
Structure:
CAS RN: 18979-22-1
CAS Name: 2-[[[4-[(2,4-diamino-5-pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C17H20N6O5
MOLECULAR WEIGHT: 388.3779
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C(N=C2N)N
Structure:
CAS RN: 2945-08-6
CAS Name: 2-(4-nitrophenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(4-nitrophenyl)acetate
IUPAC Name: methyl 2-(4-nitrophenyl)acetate
SYSTEMATIC NAME: methyl 2-(4-nitrophenyl)ethanoate
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 724743-59-3
CAS Name: 2,5-dibromo-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dibromo-3,6-diphenyl-1,4-benzoquinone
IUPAC Name: 2,5-dibromo-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(bromanyl)-3,6-diphenyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H10Br2O2
MOLECULAR WEIGHT: 418.0788
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Br)C3=CC=CC=C3)Br
Structure:
CAS RN: 30488-91-6
CAS Name: N-[4-(dimethylsulfamoyl)phenyl]carbamic acid (1-cyclohexyl-1-phenylethyl) ester
OPENEYE Name: (1-cyclohexyl-1-phenyl-ethyl) N-[4-(dimethylsulfamoyl)phenyl]carbamate
IUPAC Name: (1-cyclohexyl-1-phenylethyl) N-[4-(dimethylsulfamoyl)phenyl]carbamate
SYSTEMATIC NAME: (1-cyclohexyl-1-phenyl-ethyl) N-[4-(dimethylsulfamoyl)phenyl]carbamate
MOLECULAR FORMULA: C23H30N2O4S
MOLECULAR WEIGHT: 430.5603
SMILES: CC(C1CCCCC1)(C2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C
Structure:
CAS RN: 20702-05-0
CAS Name: 5-hydroxy-6H-phosphanthridine 5-oxide
OPENEYE Name: 5-hydroxy-6H-phosphanthridine 5-oxide
IUPAC Name: 5-hydroxy-6H-phosphanthridine 5-oxide
SYSTEMATIC NAME: 5-oxidanyl-6H-phosphanthridine 5-oxide
MOLECULAR FORMULA: C13H11O2P
MOLECULAR WEIGHT: 230.199001
SMILES: C1C2=CC=CC=C2C3=CC=CC=C3P1(=O)O
Structure:
CAS RN: 35085-32-6
CAS Name: 2-diethoxyphosphoryl-3-phenylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-diethoxyphosphoryl-3-phenyl-propanoate
IUPAC Name: ethyl 2-diethoxyphosphoryl-3-phenylpropanoate
SYSTEMATIC NAME: ethyl 2-diethoxyphosphoryl-3-phenyl-propanoate
MOLECULAR FORMULA: C15H23O5P
MOLECULAR WEIGHT: 314.313881
SMILES: CCOC(=O)C(CC1=CC=CC=C1)P(=O)(OCC)OCC
Structure:
CAS RN: 23099-21-0
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
MOLECULAR FORMULA: C31H41Cl2NO3
MOLECULAR WEIGHT: 546.56814
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)CC[C@]35C
Structure:
CAS RN: 5790-78-3
CAS Name: 2-[methyl-[oxo(2-quinoxalinyl)methyl]amino]propanoic acid
OPENEYE Name: 2-[methyl(quinoxaline-2-carbonyl)amino]propanoic acid
IUPAC Name: 2-[methyl(quinoxaline-2-carbonyl)amino]propanoic acid
SYSTEMATIC NAME: 2-[methyl(quinoxalin-2-ylcarbonyl)amino]propanoic acid
MOLECULAR FORMULA: C13H13N3O3
MOLECULAR WEIGHT: 259.26062
SMILES: CC(C(=O)O)N(C)C(=O)C1=NC2=CC=CC=C2N=C1
Structure:
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