CAS RN: 1792-47-8
CAS Name: 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
IUPAC Name: tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 4aH-pyrido[2,1-b][1,3]benzothiazole-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C19H17NO8S
MOLECULAR WEIGHT: 419.40518
SMILES: COC(=O)C1=C(C(=C(N2C1SC3=CC=CC=C32)C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 1911-81-5
CAS Name: 9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
IUPAC Name: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
MOLECULAR FORMULA: C20H19NO8S
MOLECULAR WEIGHT: 433.43176
SMILES: COC(=O)C1C(N2C3=CC=CC=C3SC2=CC(=C1C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 1982-90-7
CAS Name: 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
IUPAC Name: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 9,10-dihydroazepino[2,1-b][1,3]benzoselenazole-7,8,9,10-tetracarboxylate
MOLECULAR FORMULA: C20H19NO8Se
MOLECULAR WEIGHT: 480.32676
SMILES: COC(=O)C1C(N2C3=CC=CC=C3[Se]C2=CC(=C1C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 1774-78-3
CAS Name: 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
IUPAC Name: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
MOLECULAR FORMULA: C21H21NO8S
MOLECULAR WEIGHT: 447.45834
SMILES: CC1=C2N(C(C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C3=CC=CC=C3S2
Structure:
CAS RN: 1911-83-7
CAS Name: 3-methyl-5,6-dihydrothiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 3-methyl-5,6-dihydrothiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
IUPAC Name: tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]azepine-5,6,7,8-tetracarboxylate
MOLECULAR FORMULA: C17H19NO8S
MOLECULAR WEIGHT: 397.39966
SMILES: CC1=CSC2=CC(=C(C(C(N12)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 10179-90-5
CAS Name: 8-(trifluoromethyl)-3,7-dihydropurin-2-one
OPENEYE Name: 8-(trifluoromethyl)-3,7-dihydropurin-2-one
IUPAC Name: 8-(trifluoromethyl)-3,7-dihydropurin-2-one
SYSTEMATIC NAME: 8-(trifluoromethyl)-3,7-dihydropurin-2-one
MOLECULAR FORMULA: C6H3F3N4O
MOLECULAR WEIGHT: 204.10943
SMILES: C1=NC(=O)NC2=C1NC(=N2)C(F)(F)F
Structure:
CAS RN: 10179-89-2
CAS Name: 8-(trifluoromethyl)-7H-purin-2-amine
OPENEYE Name: 8-(trifluoromethyl)-7H-purin-2-amine
IUPAC Name: 8-(trifluoromethyl)-7H-purin-2-amine
SYSTEMATIC NAME: 8-(trifluoromethyl)-7H-purin-2-amine
MOLECULAR FORMULA: C6H4F3N5
MOLECULAR WEIGHT: 203.12467
SMILES: C1=C2C(=NC(=N1)N)N=C(N2)C(F)(F)F
Structure:
CAS RN: 50695-53-9
CAS Name: 4-chloro-N-hydroxybenzenesulfonamide
OPENEYE Name: 4-chloro-N-hydroxy-benzenesulfonamide
IUPAC Name: 4-chloro-N-hydroxybenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-oxidanyl-benzenesulfonamide
MOLECULAR FORMULA: C6H6ClNO3S
MOLECULAR WEIGHT: 207.63474
SMILES: C1=CC(=CC=C1S(=O)(=O)NO)Cl
Structure:
CAS RN: 30204-29-6
CAS Name: (4-chlorophenyl)methoxyurea
OPENEYE Name: (4-chlorophenyl)methoxyurea
IUPAC Name: (4-chlorophenyl)methoxyurea
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methoxy]urea
MOLECULAR FORMULA: C8H9ClN2O2
MOLECULAR WEIGHT: 200.62226
SMILES: C1=CC(=CC=C1CONC(=O)N)Cl
Structure:
CAS RN: 5725-99-5
CAS Name: N,N-dimethylhydroxylamine; oxalic acid
OPENEYE Name: N,N-dimethylhydroxylamine; oxalic acid
IUPAC Name: N,N-dimethylhydroxylamine; oxalic acid
SYSTEMATIC NAME: N,N-dimethylhydroxylamine; ethanedioic acid
MOLECULAR FORMULA: C4H9NO5
MOLECULAR WEIGHT: 151.11796
SMILES: CN(C)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 147-44-4
CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-3-indolyl]acetic acid
OPENEYE Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-3-yl]acetic acid
IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C18H16ClNO2
MOLECULAR WEIGHT: 313.77814
SMILES: CC1=CC2=C(C=C1)N(C=C2CC(=O)O)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 632-07-5
CAS Name: 2-cyanopropanoic acid
OPENEYE Name: 2-cyanopropanoic acid
IUPAC Name: 2-cyanopropanoic acid
SYSTEMATIC NAME: 2-cyanopropanoic acid
MOLECULAR FORMULA: C4H5NO2
MOLECULAR WEIGHT: 99.088
SMILES: CC(C#N)C(=O)O
Structure:
CAS RN: 14432-05-4
CAS Name: 5-chloro-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methoxy-1,3-diazinane-2,4-dione
OPENEYE Name: 5-chloro-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
IUPAC Name: 5-chloro-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-5-fluoranyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C10H14ClFN2O6
MOLECULAR WEIGHT: 312.679363
SMILES: COC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(F)Cl
Structure:
CAS RN: 89711-99-9
CAS Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidin-2-one
OPENEYE Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidin-2-one
IUPAC Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidin-2-one
SYSTEMATIC NAME: 6-azanyl-5-(2-hydroxyethyl)-1H-pyrimidin-2-one
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: C1=NC(=O)NC(=C1CCO)N
Structure:
CAS RN: 89598-70-9
CAS Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 6-amino-5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: C(CO)C1=C(NC(=O)NC1=O)N
Structure:
CAS RN: 90008-83-6
CAS Name: 6-amino-5-(2-hydroxypropyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-amino-5-(2-hydroxypropyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 6-amino-5-(2-hydroxypropyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-(2-oxidanylpropyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H11N3O3
MOLECULAR WEIGHT: 185.18054
SMILES: CC(CC1=C(NC(=O)NC1=O)N)O
Structure:
CAS RN: 23956-12-9
CAS Name: 5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O3
MOLECULAR WEIGHT: 156.13932
SMILES: C1=C(C(=O)NC(=O)N1)CCO
Structure:
CAS RN: 89943-45-3
CAS Name: 5-(2-hydroxyethyl)-2-(methylthio)-1H-pyrimidin-6-one
OPENEYE Name: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
IUPAC Name: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: CSC1=NC=C(C(=O)N1)CCO
Structure:
CAS RN: 92961-98-3
CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]aniline
OPENEYE Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]aniline
IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]aniline
SYSTEMATIC NAME: 4-[4-[bis(2-chloroethyl)amino]phenoxy]aniline
MOLECULAR FORMULA: C16H18Cl2N2O
MOLECULAR WEIGHT: 325.23292
SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 17363-66-5
CAS Name: 1-tert-butyl-2-oxa-1-azaspiro[2.5]octane
OPENEYE Name: 1-tert-butyl-2-oxa-1-azaspiro[2.5]octane
IUPAC Name: 1-tert-butyl-2-oxa-1-azaspiro[2.5]octane
SYSTEMATIC NAME: 1-tert-butyl-2-oxa-1-azaspiro[2.5]octane
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CC(C)(C)N1C2(O1)CCCCC2
Structure:
CAS RN: 91425-61-5
CAS Name: 2,2,2-trichloro-1-(1-methyl-1,2-diazaspiro[2.5]octan-2-yl)ethanol
OPENEYE Name: 2,2,2-trichloro-1-(1-methyl-1,2-diazaspiro[2.5]octan-2-yl)ethanol
IUPAC Name: 2,2,2-trichloro-1-(1-methyl-1,2-diazaspiro[2.5]octan-2-yl)ethanol
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-1-(1-methyl-1,2-diazaspiro[2.5]octan-2-yl)ethanol
MOLECULAR FORMULA: C9H15Cl3N2O
MOLECULAR WEIGHT: 273.5872
SMILES: CN1C2(N1C(C(Cl)(Cl)Cl)O)CCCCC2
Structure:
CAS RN: 26177-34-4
CAS Name: 2-methyl-1,2-diazaspiro[2.5]octane
OPENEYE Name: 2-methyl-1,2-diazaspiro[2.5]octane
IUPAC Name: 2-methyl-1,2-diazaspiro[2.5]octane
SYSTEMATIC NAME: 2-methyl-1,2-diazaspiro[2.5]octane
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: CN1C2(N1)CCCCC2
Structure:
CAS RN: 1094-54-8
CAS Name: 2-[(2-chlorophenyl)methylthio]-6,8-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
OPENEYE Name: 2-[(2-chlorophenyl)methylsulfanyl]-6,8-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6,8-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methylsulfanyl]-6,8-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H18ClN3OS
MOLECULAR WEIGHT: 335.85162
SMILES: CC1CN(CC2=C1NC(=NC2=O)SCC3=CC=CC=C3Cl)C
Structure:
CAS RN: 2617-72-3
CAS Name: 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
IUPAC Name: 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
MOLECULAR FORMULA: C13H9Cl3N2O
MOLECULAR WEIGHT: 315.58236
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 57905-63-2
CAS Name: N-[(5-nitro-2-furanyl)methylideneamino]-1-oxido-4-pyridin-1-iumcarboxamide
OPENEYE Name: N-[(5-nitro-2-furyl)methyleneamino]-1-oxido-pyridin-1-ium-4-carboxamide
IUPAC Name: N-[(5-nitrofuran-2-yl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
SYSTEMATIC NAME: N-[(5-nitrofuran-2-yl)methylideneamino]-1-oxidanidyl-pyridin-1-ium-4-carboxamide
MOLECULAR FORMULA: C11H8N4O5
MOLECULAR WEIGHT: 276.20502
SMILES: C1=C[N+](=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])[O-]
Structure:
CAS RN: 1820-76-4
CAS Name: 5-bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
OPENEYE Name: 5-bromo-5-fluoro-6-hydroxy-hexahydropyrimidine-2,4-dione
IUPAC Name: 5-bromo-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-5-fluoranyl-6-oxidanyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C4H4BrFN2O3
MOLECULAR WEIGHT: 226.988563
SMILES: C1(C(C(=O)NC(=O)N1)(F)Br)O
Structure:
CAS RN: 2193-47-7
CAS Name: 4-amino-6-fluoro-1H-pyrimidin-2-one
OPENEYE Name: 4-amino-6-fluoro-1H-pyrimidin-2-one
IUPAC Name: 4-amino-6-fluoro-1H-pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-6-fluoranyl-1H-pyrimidin-2-one
MOLECULAR FORMULA: C4H4FN3O
MOLECULAR WEIGHT: 129.092463
SMILES: C1=C(NC(=O)N=C1N)F
Structure:
CAS RN: 19533-07-4
CAS Name: [4-(2-oxiranylmethoxy)phenyl]-phenylmethanone
OPENEYE Name: [4-(oxiran-2-ylmethoxy)phenyl]-phenyl-methanone
IUPAC Name: [4-(oxiran-2-ylmethoxy)phenyl]-phenylmethanone
SYSTEMATIC NAME: [4-(oxiran-2-ylmethoxy)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: C1C(O1)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 7728-80-5
CAS Name: 5-bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
OPENEYE Name: 5-bromo-5-fluoro-6-methoxy-hexahydropyrimidine-2,4-dione
IUPAC Name: 5-bromo-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-5-fluoranyl-6-methoxy-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C5H6BrFN2O3
MOLECULAR WEIGHT: 241.015143
SMILES: COC1C(C(=O)NC(=O)N1)(F)Br
Structure:
CAS RN: 6383-81-9
CAS Name: 2-(2,6-dioxo-3-oxanyl)-5-nitroisoindole-1,3-dione
OPENEYE Name: 2-(2,6-dioxotetrahydropyran-3-yl)-5-nitro-isoindoline-1,3-dione
IUPAC Name: 2-(2,6-dioxooxan-3-yl)-5-nitroisoindole-1,3-dione
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylidene)oxan-3-yl]-5-nitro-isoindole-1,3-dione
MOLECULAR FORMULA: C13H8N2O7
MOLECULAR WEIGHT: 304.21182
SMILES: C1CC(=O)OC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
Structure:
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