CAS RN: 470463-38-8
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
IUPAC Name: methyl 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
SYSTEMATIC NAME: methyl 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
MOLECULAR FORMULA: C12H16N2O3
MOLECULAR WEIGHT: 236.26704
SMILES: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)OC
Structure:
CAS RN: 470463-37-7
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxamide
OPENEYE Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide
IUPAC Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide
SYSTEMATIC NAME: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)N
Structure:
CAS RN: 470463-34-4
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxylic acid
OPENEYE Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylic acid
IUPAC Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)O
Structure:
CAS RN: 375853-79-5
CAS Name: N-(5-iodo-2-pyridinyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(5-iodo-2-pyridyl)carbamate
IUPAC Name: tert-butyl N-(5-iodopyridin-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(5-iodanylpyridin-2-yl)carbamate
MOLECULAR FORMULA: C10H13IN2O2
MOLECULAR WEIGHT: 320.12689
SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)I
Structure:
CAS RN: 115687-29-1
CAS Name: 1-(phenylmethyl)-3-pyrrolidinecarboxamide
OPENEYE Name: 1-benzylpyrrolidine-3-carboxamide
IUPAC Name: 1-benzylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-(phenylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: C1CN(CC1C(=O)N)CC2=CC=CC=C2
Structure:
CAS RN: 375368-83-5
CAS Name: 3-bromo-6-fluoro-2-methylpyridine
OPENEYE Name: 3-bromo-6-fluoro-2-methyl-pyridine
IUPAC Name: 3-bromo-6-fluoro-2-methylpyridine
SYSTEMATIC NAME: 3-bromanyl-6-fluoranyl-2-methyl-pyridine
MOLECULAR FORMULA: C6H5BrFN
MOLECULAR WEIGHT: 190.013003
SMILES: CC1=C(C=CC(=N1)F)Br
Structure:
CAS RN: 374633-34-8
CAS Name: 2-fluoro-6-methyl-3-pyridinamine
OPENEYE Name: 2-fluoro-6-methyl-pyridin-3-amine
IUPAC Name: 2-fluoro-6-methylpyridin-3-amine
SYSTEMATIC NAME: 2-fluoranyl-6-methyl-pyridin-3-amine
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: CC1=NC(=C(C=C1)N)F
Structure:
CAS RN: 884495-22-1
CAS Name: 5-bromo-2-fluoro-3-pyridinamine
OPENEYE Name: 5-bromo-2-fluoro-pyridin-3-amine
IUPAC Name: 5-bromo-2-fluoropyridin-3-amine
SYSTEMATIC NAME: 5-bromanyl-2-fluoranyl-pyridin-3-amine
MOLECULAR FORMULA: C5H4BrFN2
MOLECULAR WEIGHT: 191.001063
SMILES: C1=C(C(=NC=C1Br)F)N
Structure:
CAS RN: 75279-60-6
CAS Name: 2-(6-chloro-2-pyridinyl)acetonitrile
OPENEYE Name: 2-(6-chloro-2-pyridyl)acetonitrile
IUPAC Name: 2-(6-chloropyridin-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-chloranylpyridin-2-yl)ethanenitrile
MOLECULAR FORMULA: C7H5ClN2
MOLECULAR WEIGHT: 152.581
SMILES: C1=CC(=NC(=C1)Cl)CC#N
Structure:
CAS RN: 614750-84-4
CAS Name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
OPENEYE Name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
IUPAC Name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
SYSTEMATIC NAME: 6-iodanyl-[1,2,4]triazolo[1,5-a]pyridine
MOLECULAR FORMULA: C6H4IN3
MOLECULAR WEIGHT: 245.02053
SMILES: C1=CC2=NC=NN2C=C1I
Structure:
CAS RN: 929074-47-5
CAS Name: 8-chloropyrido[3,4-b]pyrazine
OPENEYE Name: 8-chloropyrido[3,4-b]pyrazine
IUPAC Name: 8-chloropyrido[3,4-b]pyrazine
SYSTEMATIC NAME: 8-chloranylpyrido[3,4-b]pyrazine
MOLECULAR FORMULA: C7H4ClN3
MOLECULAR WEIGHT: 165.57976
SMILES: C1=CN=C2C(=CN=CC2=N1)Cl
Structure:
CAS RN: 929074-45-3
CAS Name: 8-bromopyrido[3,4-b]pyrazine
OPENEYE Name: 8-bromopyrido[3,4-b]pyrazine
IUPAC Name: 8-bromopyrido[3,4-b]pyrazine
SYSTEMATIC NAME: 8-bromanylpyrido[3,4-b]pyrazine
MOLECULAR FORMULA: C7H4BrN3
MOLECULAR WEIGHT: 210.03076
SMILES: C1=CN=C2C(=CN=CC2=N1)Br
Structure:
CAS RN: 929074-44-2
CAS Name: 7-chloro-2-methyl-3H-imidazo[4,5-c]pyridine
OPENEYE Name: 7-chloro-2-methyl-3H-imidazo[4,5-c]pyridine
IUPAC Name: 7-chloro-2-methyl-3H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 7-chloranyl-2-methyl-3H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C7H6ClN3
MOLECULAR WEIGHT: 167.59564
SMILES: CC1=NC2=C(C=NC=C2N1)Cl
Structure:
CAS RN: 224779-27-5
CAS Name: 3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
IUPAC Name: tert-butyl 3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-oxidanyl-3,6-dihydro-2H-pyridine-1-carboxylate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(C)(C)OC(=O)N1CC=CC(C1)O
Structure:
CAS RN: 886766-60-5
CAS Name: (2R)-2-phenyl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-phenylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-phenylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-phenylpiperazine-1-carboxylate
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CC(C)(C)OC(=O)N1CCNC[C@H]1C2=CC=CC=C2
Structure:
CAS RN: 878745-51-8
CAS Name: 2-(trifluoromethyl)-4-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
IUPAC Name: methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
SYSTEMATIC NAME: methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
MOLECULAR FORMULA: C7H5F3N2O2
MOLECULAR WEIGHT: 206.12201
SMILES: COC(=O)C1=NC(=NC=C1)C(F)(F)F
Structure:
CAS RN: 878760-47-5
CAS Name: 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
OPENEYE Name: 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
IUPAC Name: 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C8H9F3N2O2
MOLECULAR WEIGHT: 222.16447
SMILES: COC(C1=NC(=NC=C1)C(F)(F)F)OC
Structure:
CAS RN: 915402-33-4
CAS Name: 8-chloroquinazoline-2,4-diamine
OPENEYE Name: 8-chloroquinazoline-2,4-diamine
IUPAC Name: 8-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 8-chloranylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC2=C(C(=C1)Cl)N=C(N=C2N)N
Structure:
CAS RN: 908333-94-8
CAS Name: 1-(3-bromophenyl)-2,2-difluoro-1-cyclopropanecarbonitrile
OPENEYE Name: 1-(3-bromophenyl)-2,2-difluoro-cyclopropanecarbonitrile
IUPAC Name: 1-(3-bromophenyl)-2,2-difluorocyclopropane-1-carbonitrile
SYSTEMATIC NAME: 1-(3-bromophenyl)-2,2-bis(fluoranyl)cyclopropane-1-carbonitrile
MOLECULAR FORMULA: C10H6BrF2N
MOLECULAR WEIGHT: 258.062146
SMILES: C1C(C1(F)F)(C#N)C2=CC(=CC=C2)Br
Structure:
CAS RN: 908333-97-1
CAS Name: 1-bromo-3-[(Z)-2-iodoethenyl]benzene
OPENEYE Name: 1-bromo-3-[(Z)-2-iodovinyl]benzene
IUPAC Name: 1-bromo-3-[(Z)-2-iodoethenyl]benzene
SYSTEMATIC NAME: 1-bromanyl-3-[(Z)-2-iodanylethenyl]benzene
MOLECULAR FORMULA: C8H6BrI
MOLECULAR WEIGHT: 308.94171
SMILES: C1=CC(=CC(=C1)Br)/C=C\I
Structure:
CAS RN: 908333-98-2
CAS Name: 2-oxazocanecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl oxazocane-2-carboxylate
IUPAC Name: tert-butyl oxazocane-2-carboxylate
SYSTEMATIC NAME: tert-butyl 1,2-oxazocane-2-carboxylate
MOLECULAR FORMULA: C11H21NO3
MOLECULAR WEIGHT: 215.28934
SMILES: CC(C)(C)OC(=O)N1CCCCCCO1
Structure:
CAS RN: 290307-39-0
CAS Name: 3-cyclobutyloxy-4-(difluoromethoxy)benzaldehyde
OPENEYE Name: 3-(cyclobutoxy)-4-(difluoromethoxy)benzaldehyde
IUPAC Name: 3-cyclobutyloxy-4-(difluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]-3-cyclobutyloxy-benzaldehyde
MOLECULAR FORMULA: C12H12F2O3
MOLECULAR WEIGHT: 242.218686
SMILES: C1CC(C1)OC2=C(C=CC(=C2)C=O)OC(F)F
Structure:
CAS RN: 153587-14-5
CAS Name: 3-cyclopentyloxy-4-(difluoromethoxy)benzaldehyde
OPENEYE Name: 3-(cyclopentoxy)-4-(difluoromethoxy)benzaldehyde
IUPAC Name: 3-cyclopentyloxy-4-(difluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-benzaldehyde
MOLECULAR FORMULA: C13H14F2O3
MOLECULAR WEIGHT: 256.245266
SMILES: C1CCC(C1)OC2=C(C=CC(=C2)C=O)OC(F)F
Structure:
CAS RN: 663177-70-6
CAS Name: 2-cyclopropyl-4-nitro-1H-indole
OPENEYE Name: 2-cyclopropyl-4-nitro-1H-indole
IUPAC Name: 2-cyclopropyl-4-nitro-1H-indole
SYSTEMATIC NAME: 2-cyclopropyl-4-nitro-1H-indole
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C1CC1C2=CC3=C(N2)C=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 910442-26-1
CAS Name: 3,4-dihydro-1H-indeno[1,2-d]imidazol-2-one
OPENEYE Name: 3,4-dihydro-1H-indeno[1,2-d]imidazol-2-one
IUPAC Name: 3,4-dihydro-1H-indeno[1,2-d]imidazol-2-one
SYSTEMATIC NAME: 3,4-dihydro-1H-indeno[1,2-d]imidazol-2-one
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1C2=CC=CC=C2C3=C1NC(=O)N3
Structure:
CAS RN: 908333-99-3
CAS Name: 3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazol-2-one
OPENEYE Name: 3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazol-2-one
IUPAC Name: 3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazol-2-one
SYSTEMATIC NAME: 3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazol-2-one
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C1CC2=C(C1)NC(=O)N2
Structure:
CAS RN: 20712-07-6
CAS Name: 5-bromo-2,1-benzothiazole
OPENEYE Name: 5-bromo-2,1-benzothiazole
IUPAC Name: 5-bromo-2,1-benzothiazole
SYSTEMATIC NAME: 5-bromanyl-2,1-benzothiazole
MOLECULAR FORMULA: C7H4BrNS
MOLECULAR WEIGHT: 214.08236
SMILES: C1=CC2=NSC=C2C=C1Br
Structure:
CAS RN: 89819-42-1
CAS Name: 2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
OPENEYE Name: 2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
IUPAC Name: 2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-1,3-benzodioxole-4-sulfonyl chloride
MOLECULAR FORMULA: C7H3ClF2O4S
MOLECULAR WEIGHT: 256.611126
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)Cl)OC(O2)(F)F
Structure:
CAS RN: 915402-16-3
CAS Name: 5'-spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]ylboronic acid
OPENEYE Name: spiro[1,3-dithiolane-2,1'-indane]-5'-ylboronic acid
IUPAC Name: spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylboronic acid
SYSTEMATIC NAME: spiro[1,3-dithiolane-2,1'-2,3-dihydroindene]-5'-ylboronic acid
MOLECULAR FORMULA: C11H13BO2S2
MOLECULAR WEIGHT: 252.16072
SMILES: B(C1=CC2=C(C=C1)C3(CC2)SCCS3)(O)O
Structure:
CAS RN: 902137-97-7
CAS Name: 4-(4-bromo-2-chlorophenyl)sulfonylthiomorpholine
OPENEYE Name: 4-(4-bromo-2-chloro-phenyl)sulfonylthiomorpholine
IUPAC Name: 4-(4-bromo-2-chlorophenyl)sulfonylthiomorpholine
SYSTEMATIC NAME: 4-(4-bromanyl-2-chloranyl-phenyl)sulfonylthiomorpholine
MOLECULAR FORMULA: C10H11BrClNO2S2
MOLECULAR WEIGHT: 356.68684
SMILES: C1CSCCN1S(=O)(=O)C2=C(C=C(C=C2)Br)Cl
Structure:
CAS RN: 902137-96-6
CAS Name: 2-thiomorpholin-4-ylsulfonylbenzoic acid methyl ester
OPENEYE Name: methyl 2-thiomorpholinosulfonylbenzoate
IUPAC Name: methyl 2-thiomorpholin-4-ylsulfonylbenzoate
SYSTEMATIC NAME: methyl 2-thiomorpholin-4-ylsulfonylbenzoate
MOLECULAR FORMULA: C12H15NO4S2
MOLECULAR WEIGHT: 301.3818
SMILES: COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCSCC2
Structure:
CAS RN: 902137-98-8
CAS Name: 3-(4-bromo-2-methylphenyl)-2-propyn-1-ol
OPENEYE Name: 3-(4-bromo-2-methyl-phenyl)prop-2-yn-1-ol
IUPAC Name: 3-(4-bromo-2-methylphenyl)prop-2-yn-1-ol
SYSTEMATIC NAME: 3-(4-bromanyl-2-methyl-phenyl)prop-2-yn-1-ol
MOLECULAR FORMULA: C10H9BrO
MOLECULAR WEIGHT: 225.08186
SMILES: CC1=C(C=CC(=C1)Br)C#CCO
Structure:
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