CAS RN: 31218-69-6
CAS Name: 1,6-dioxecane-2,5-dione
OPENEYE Name: 1,6-dioxecane-2,5-dione
IUPAC Name: 1,6-dioxecane-2,5-dione
SYSTEMATIC NAME: 1,6-dioxecane-2,5-dione
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C1CCOC(=O)CCC(=O)OC1
Structure:
CAS RN: 5731-11-3
CAS Name: 4-(4-bromophenyl)benzoate
OPENEYE Name: 4-(4-bromophenyl)benzoate
IUPAC Name: 4-(4-bromophenyl)benzoate
SYSTEMATIC NAME: 4-(4-bromophenyl)benzoate
MOLECULAR FORMULA: C13H8BrO2-
MOLECULAR WEIGHT: 276.10542
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)[O-]
Structure:
CAS RN: 19329-61-4
CAS Name: 4-(trimethylammonio)benzenesulfonate
OPENEYE Name: 4-(trimethylammonio)benzenesulfonate
IUPAC Name: 4-(trimethylazaniumyl)benzenesulfonate
SYSTEMATIC NAME: 4-(trimethylazaniumyl)benzenesulfonate
MOLECULAR FORMULA: C9H13NO3S
MOLECULAR WEIGHT: 215.26942
SMILES: C[N+](C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 5856-49-5
CAS Name: carbonic acid [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl ester
OPENEYE Name: [2,2-dimethyl-4-(6-thioxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate
IUPAC Name: [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate
SYSTEMATIC NAME: [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phenyl carbonate
MOLECULAR FORMULA: C20H20N4O6S
MOLECULAR WEIGHT: 444.461
SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)COC(=O)OC5=CC=CC=C5)C
Structure:
CAS RN: 4882-55-7
CAS Name: 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2,4-dinitroanilino)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(2,4-dinitrophenyl)amino]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H7N5O6
MOLECULAR WEIGHT: 293.19248
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC2=CNC(=O)NC2=O
Structure:
CAS RN: 32403-17-1
CAS Name: 1-(1-adamantyl)-3-[(3,4-dichlorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(3,4-dichlorophenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(3,4-dichlorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(3,4-dichlorophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C18H21Cl2N3S
MOLECULAR WEIGHT: 382.35044
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 10573-17-8
CAS Name: 4-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
OPENEYE Name: 4-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
IUPAC Name: 4-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
SYSTEMATIC NAME: 4-(10,13-dimethyl-3-oxidanyl-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C
Structure:
CAS RN: 6343-36-8
CAS Name: N,N'-dihexadecylethanedithioamide
OPENEYE Name: N,N'-dihexadecylethanedithioamide
IUPAC Name: N,N'-dihexadecylethanedithioamide
SYSTEMATIC NAME: N,N'-dihexadecylethanedithioamide
MOLECULAR FORMULA: C34H68N2S2
MOLECULAR WEIGHT: 569.04712
SMILES: CCCCCCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCCCCCC
Structure:
CAS RN: 6171-00-2
CAS Name: 5-[(4-fluorophenyl)-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
OPENEYE Name: 5-[(4-fluorophenyl)-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
IUPAC Name: 5-[(4-fluorophenyl)-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[(4-fluorophenyl)-(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C15H11FN4O4
MOLECULAR WEIGHT: 330.270643
SMILES: C1=CC(=CC=C1C(C2=C(N=CNC2=O)O)C3=C(N=CNC3=O)O)F
Structure:
CAS RN: 4846-20-2
CAS Name: 5-(3-chlorophenyl)-1-(4,5-dimethyl-2-thiazolyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
OPENEYE Name: 5-(3-chlorophenyl)-1-(4,5-dimethylthiazol-2-yl)-4-[hydroxy(phenyl)methylene]pyrrolidine-2,3-dione
IUPAC Name: 5-(3-chlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(3-chlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[oxidanyl(phenyl)methylidene]pyrrolidine-2,3-dione
MOLECULAR FORMULA: C22H17ClN2O3S
MOLECULAR WEIGHT: 424.89998
SMILES: CC1=C(SC(=N1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC(=CC=C4)Cl)C
Structure:
CAS RN: 7467-31-4
CAS Name: [5-(6-aminopurin-9-yl)-3-azido-4-(ethylthio)-2-oxolanyl]methanol
OPENEYE Name: [5-(6-aminopurin-9-yl)-3-azido-4-ethylsulfanyl-tetrahydrofuran-2-yl]methanol
IUPAC Name: [5-(6-aminopurin-9-yl)-3-azido-4-ethylsulfanyloxolan-2-yl]methanol
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3-azido-4-ethylsulfanyl-oxolan-2-yl]methanol
MOLECULAR FORMULA: C12H16N8O2S
MOLECULAR WEIGHT: 336.37284
SMILES: CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=[N-]
Structure:
CAS RN: 7248-23-9
CAS Name: 6-[[6-amino-5-bromo-2-(ethylthio)-4-pyrimidinyl]thio]-7H-purin-2-amine
OPENEYE Name: 6-(6-amino-5-bromo-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
IUPAC Name: 6-(6-amino-5-bromo-2-ethylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine
SYSTEMATIC NAME: 6-(6-azanyl-5-bromanyl-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
MOLECULAR FORMULA: C11H11BrN8S2
MOLECULAR WEIGHT: 399.29264
SMILES: CCSC1=NC(=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br)N
Structure:
CAS RN: 63547-90-0
CAS Name: 1-cyclohexyl-4-ethoxy-5,5-dimethyl-2-imidazolidinethione
OPENEYE Name: 1-cyclohexyl-4-ethoxy-5,5-dimethyl-imidazolidine-2-thione
IUPAC Name: 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione
SYSTEMATIC NAME: 1-cyclohexyl-4-ethoxy-5,5-dimethyl-imidazolidine-2-thione
MOLECULAR FORMULA: C13H24N2OS
MOLECULAR WEIGHT: 256.40746
SMILES: CCOC1C(N(C(=S)N1)C2CCCCC2)(C)C
Structure:
CAS RN: 94319-79-6
CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]ethylammonium
OPENEYE Name: 2-[(4-chlorobenzoyl)amino]ethylammonium
IUPAC Name: 2-[(4-chlorobenzoyl)amino]ethylazanium
SYSTEMATIC NAME: 2-[(4-chlorophenyl)carbonylamino]ethylazanium
MOLECULAR FORMULA: C9H12ClN2O+
MOLECULAR WEIGHT: 199.65738
SMILES: C1=CC(=CC=C1C(=O)NCC[NH3+])Cl
Structure:
CAS RN: 445232-49-5
CAS Name: 2-(2-acetylphenoxy)acetamide
OPENEYE Name: 2-(2-acetylphenoxy)acetamide
IUPAC Name: 2-(2-acetylphenoxy)acetamide
SYSTEMATIC NAME: 2-(2-ethanoylphenoxy)ethanamide
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(=O)C1=CC=CC=C1OCC(=O)N
Structure:
CAS RN: 177171-16-3
CAS Name: (3-trimethylsilylphenyl)boronic acid
OPENEYE Name: (3-trimethylsilylphenyl)boronic acid
IUPAC Name: (3-trimethylsilylphenyl)boronic acid
SYSTEMATIC NAME: (3-trimethylsilylphenyl)boronic acid
MOLECULAR FORMULA: C9H15BO2Si
MOLECULAR WEIGHT: 194.1107
SMILES: B(C1=CC(=CC=C1)[Si](C)(C)C)(O)O
Structure:
CAS RN: 78238-03-6
CAS Name: 3-acetamido-5-methoxybenzoic acid
OPENEYE Name: 3-acetamido-5-methoxy-benzoic acid
IUPAC Name: 3-acetamido-5-methoxybenzoic acid
SYSTEMATIC NAME: 3-acetamido-5-methoxy-benzoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC(=O)NC1=CC(=CC(=C1)C(=O)O)OC
Structure:
CAS RN: 96761-85-2
CAS Name: 1,3,5-tris(3-bromophenyl)benzene
OPENEYE Name: 1,3,5-tris(3-bromophenyl)benzene
IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene
SYSTEMATIC NAME: 1,3,5-tris(3-bromophenyl)benzene
MOLECULAR FORMULA: C24H15Br3
MOLECULAR WEIGHT: 543.0879
SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
Structure:
CAS RN: 21435-27-8
CAS Name: 2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CO)N)O
Structure:
CAS RN: 6492-90-6
CAS Name: 8-[2-(dimethylamino)ethylthio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-[2-(dimethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C11H17N5OS2
MOLECULAR WEIGHT: 299.41558
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN(C)C
Structure:
CAS RN: 28495-84-3
CAS Name: 5-(phenylmethyl)-4-sulfanylidene-1H-pyrimidin-2-one
OPENEYE Name: 5-benzyl-4-thioxo-1H-pyrimidin-2-one
IUPAC Name: 5-benzyl-4-sulfanylidene-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-(phenylmethyl)-4-sulfanylidene-1H-pyrimidin-2-one
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1=CC=C(C=C1)CC2=CNC(=O)NC2=S
Structure:
CAS RN: 6939-39-5
CAS Name: N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
OPENEYE Name: N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
IUPAC Name: N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-ethyl-2-(trifluoromethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C8H8F3N5
MOLECULAR WEIGHT: 231.17783
SMILES: CCNC1=NC(=NC2=C1NC=N2)C(F)(F)F
Structure:
CAS RN: 1205-58-9
CAS Name: 4-(acetamidomethyl)benzoate
OPENEYE Name: 4-(acetamidomethyl)benzoate
IUPAC Name: 4-(acetamidomethyl)benzoate
SYSTEMATIC NAME: 4-(acetamidomethyl)benzoate
MOLECULAR FORMULA: C10H10NO3-
MOLECULAR WEIGHT: 192.1913
SMILES: CC(=O)NCC1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 116834-08-3
CAS Name: 1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarboxylate
OPENEYE Name: 1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
IUPAC Name: 1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: 1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C14H10N3O2-
MOLECULAR WEIGHT: 252.2481
SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)[O-])N3C=CC=C3
Structure:
No comments:
Post a Comment