CAS RN: 883864-69-5
CAS Name: [4-(trifluoromethyl)-3-pyridinyl]hydrazine
OPENEYE Name: [4-(trifluoromethyl)-3-pyridyl]hydrazine
IUPAC Name: [4-(trifluoromethyl)pyridin-3-yl]hydrazine
SYSTEMATIC NAME: [4-(trifluoromethyl)pyridin-3-yl]diazane
MOLECULAR FORMULA: C6H6F3N3
MOLECULAR WEIGHT: 177.12715
SMILES: C1=CN=CC(=C1C(F)(F)F)NN
Structure:
CAS RN: 1152430-26-6
CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[1-(cyclopropanecarbonyl)-4-piperidyl]carbamate
IUPAC Name: tert-butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-(1-cyclopropylcarbonylpiperidin-4-yl)carbamate
MOLECULAR FORMULA: C14H24N2O3
MOLECULAR WEIGHT: 268.35196
SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2CC2
Structure:
CAS RN: 5533-38-0
CAS Name: 1-methyl-2-benzimidazolesulfonate
OPENEYE Name: 1-methylbenzimidazole-2-sulfonate
IUPAC Name: 1-methylbenzimidazole-2-sulfonate
SYSTEMATIC NAME: 1-methylbenzimidazole-2-sulfonate
MOLECULAR FORMULA: C8H7N2O3S-
MOLECULAR WEIGHT: 211.21778
SMILES: CN1C2=CC=CC=C2N=C1S(=O)(=O)[O-]
Structure:
CAS RN: 13339-02-1
CAS Name: 2-(1-piperazin-4-iumyl)aniline
OPENEYE Name: 2-piperazin-4-ium-1-ylaniline
IUPAC Name: 2-piperazin-4-ium-1-ylaniline
SYSTEMATIC NAME: 2-piperazin-4-ium-1-ylaniline
MOLECULAR FORMULA: C10H16N3+
MOLECULAR WEIGHT: 178.25414
SMILES: C1CN(CC[NH2+]1)C2=CC=CC=C2N
Structure:
CAS RN: 90-65-3
CAS Name: (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoate
OPENEYE Name: (2Z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoate
IUPAC Name: (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoate
SYSTEMATIC NAME: (2Z)-3-methoxy-5-methyl-4-oxidanylidene-hexa-2,5-dienoate
MOLECULAR FORMULA: C8H9O4-
MOLECULAR WEIGHT: 169.15466
SMILES: CC(=C)C(=O)/C(=C/C(=O)[O-])/OC
Structure:
CAS RN: 89197-00-2
CAS Name: 2-[(2R)-2-ethyl-3H-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
OPENEYE Name: 2-[(2R)-2-ethyl-3H-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
IUPAC Name: 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
SYSTEMATIC NAME: 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium
MOLECULAR FORMULA: C13H17N2O+
MOLECULAR WEIGHT: 217.28688
SMILES: CC[C@@]1(CC2=CC=CC=C2O1)C3=[NH+]CCN3
Structure:
CAS RN: 1527-92-0
CAS Name: phenyl-[(Z)-(phenylmethylene)amino]-[phenyl-(phenylhydrazo)methylidene]ammonium
OPENEYE Name: [(Z)-benzylideneamino]-phenyl-[phenyl-(2-phenylhydrazino)methylene]ammonium
IUPAC Name: [(Z)-benzylideneamino]-phenyl-[phenyl-(2-phenylhydrazinyl)methylidene]azanium
SYSTEMATIC NAME: phenyl-[(Z)-(phenylmethylidene)amino]-[phenyl-(2-phenylhydrazinyl)methylidene]azanium
MOLECULAR FORMULA: C26H23N4+
MOLECULAR WEIGHT: 391.48762
SMILES: C1=CC=C(C=C1)/C=N\[N+](=C(C2=CC=CC=C2)NNC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 1099598-09-0
CAS Name: 3-(2,2,2-trifluoroethyl)pyridine
OPENEYE Name: 3-(2,2,2-trifluoroethyl)pyridine
IUPAC Name: 3-(2,2,2-trifluoroethyl)pyridine
SYSTEMATIC NAME: 3-[2,2,2-tris(fluoranyl)ethyl]pyridine
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: C1=CC(=CN=C1)CC(F)(F)F
Structure:
CAS RN: 823221-93-8
CAS Name: 5-bromo-2-chloro-4-(trifluoromethyl)pyridine
OPENEYE Name: 5-bromo-2-chloro-4-(trifluoromethyl)pyridine
IUPAC Name: 5-bromo-2-chloro-4-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-4-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H2BrClF3N
MOLECULAR WEIGHT: 260.43899
SMILES: C1=C(C(=CN=C1Cl)Br)C(F)(F)F
Structure:
CAS RN: 1120214-98-3
CAS Name: 7-iodopyrido[2,3-b]pyrazine
OPENEYE Name: 7-iodopyrido[2,3-b]pyrazine
IUPAC Name: 7-iodopyrido[2,3-b]pyrazine
SYSTEMATIC NAME: 7-iodanylpyrido[2,3-b]pyrazine
MOLECULAR FORMULA: C7H4IN3
MOLECULAR WEIGHT: 257.03123
SMILES: C1=NC2=CC(=CN=C2N=C1)I
Structure:
CAS RN: 1120214-96-1
CAS Name: 2-bromo-5-propyl-4-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-bromo-5-propyl-thiazole-4-carboxylate
IUPAC Name: methyl 2-bromo-5-propyl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-bromanyl-5-propyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C8H10BrNO2S
MOLECULAR WEIGHT: 264.1395
SMILES: CCCC1=C(N=C(S1)Br)C(=O)OC
Structure:
CAS RN: 412277-94-2
CAS Name: 5-(hydroxymethyl)-2-pyrazinecarboxamide
OPENEYE Name: 5-(hydroxymethyl)pyrazine-2-carboxamide
IUPAC Name: 5-(hydroxymethyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: 5-(hydroxymethyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=C(N=CC(=N1)CO)C(=O)N
Structure:
CAS RN: 253340-48-6
CAS Name: 2-amino-6-(hydroxymethyl)-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-6-(hydroxymethyl)-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-(hydroxymethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-(hydroxymethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: C1=C(NC(=NC1=O)N)CO
Structure:
CAS RN: 105772-14-3
CAS Name: 3,6-dihydro-2H-pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3,6-dihydro-2H-pyran-4-carboxylate
IUPAC Name: methyl 3,6-dihydro-2H-pyran-4-carboxylate
SYSTEMATIC NAME: methyl 3,6-dihydro-2H-pyran-4-carboxylate
MOLECULAR FORMULA: C7H10O3
MOLECULAR WEIGHT: 142.1525
SMILES: COC(=O)C1=CCOCC1
Structure:
CAS RN: 71083-83-5
CAS Name: 5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
OPENEYE Name: 5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
IUPAC Name: 5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
SYSTEMATIC NAME: 5-(hydroxymethyl)-1H-pyrazole-3-carboxamide
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: C1=C(NN=C1C(=O)N)CO
Structure:
CAS RN: 944709-69-7
CAS Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
OPENEYE Name: methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 4-chloranyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C8H6ClN3O2
MOLECULAR WEIGHT: 211.60514
SMILES: COC(=O)C1=CC2=C(N1)N=CN=C2Cl
Structure:
CAS RN: 1120214-94-9
CAS Name: 2-bromo-4-fluoro-1-(2-nitroethyl)benzene
OPENEYE Name: 2-bromo-4-fluoro-1-(2-nitroethyl)benzene
IUPAC Name: 2-bromo-4-fluoro-1-(2-nitroethyl)benzene
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-1-(2-nitroethyl)benzene
MOLECULAR FORMULA: C8H7BrFNO2
MOLECULAR WEIGHT: 248.049083
SMILES: C1=CC(=C(C=C1F)Br)CC[N+](=O)[O-]
Structure:
CAS RN: 1092352-43-6
CAS Name: 4-bromo-2-(1-piperidinyl)-3-pyridinecarboxaldehyde
OPENEYE Name: 4-bromo-2-(1-piperidyl)pyridine-3-carbaldehyde
IUPAC Name: 4-bromo-2-piperidin-1-ylpyridine-3-carbaldehyde
SYSTEMATIC NAME: 4-bromanyl-2-piperidin-1-yl-pyridine-3-carbaldehyde
MOLECULAR FORMULA: C11H13BrN2O
MOLECULAR WEIGHT: 269.13772
SMILES: C1CCN(CC1)C2=NC=CC(=C2C=O)Br
Structure:
CAS RN: 1092352-40-3
CAS Name: 4-bromo-3,5-difluoropyridine
OPENEYE Name: 4-bromo-3,5-difluoro-pyridine
IUPAC Name: 4-bromo-3,5-difluoropyridine
SYSTEMATIC NAME: 4-bromanyl-3,5-bis(fluoranyl)pyridine
MOLECULAR FORMULA: C5H2BrF2N
MOLECULAR WEIGHT: 193.976886
SMILES: C1=C(C(=C(C=N1)F)Br)F
Structure:
CAS RN: 1092352-37-8
CAS Name: 7-bromo-1-indazolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 7-bromoindazole-1-carboxylate
IUPAC Name: tert-butyl 7-bromoindazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 7-bromanylindazole-1-carboxylate
MOLECULAR FORMULA: C12H13BrN2O2
MOLECULAR WEIGHT: 297.14782
SMILES: CC(C)(C)OC(=O)N1C2=C(C=CC=C2Br)C=N1
Structure:
CAS RN: 926922-37-4
CAS Name: 4-bromo-1-indazolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-bromoindazole-1-carboxylate
IUPAC Name: tert-butyl 4-bromoindazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-bromanylindazole-1-carboxylate
MOLECULAR FORMULA: C12H13BrN2O2
MOLECULAR WEIGHT: 297.14782
SMILES: CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br
Structure:
CAS RN: 651780-02-8
CAS Name: 6-bromo-1-indazolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 6-bromoindazole-1-carboxylate
IUPAC Name: tert-butyl 6-bromoindazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 6-bromanylindazole-1-carboxylate
MOLECULAR FORMULA: C12H13BrN2O2
MOLECULAR WEIGHT: 297.14782
SMILES: CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1
Structure:
CAS RN: 938443-20-0
CAS Name: 2,4,7-trichloropyrido[2,3-d]pyrimidine
OPENEYE Name: 2,4,7-trichloropyrido[2,3-d]pyrimidine
IUPAC Name: 2,4,7-trichloropyrido[2,3-d]pyrimidine
SYSTEMATIC NAME: 2,4,7-tris(chloranyl)pyrido[2,3-d]pyrimidine
MOLECULAR FORMULA: C7H2Cl3N3
MOLECULAR WEIGHT: 234.46988
SMILES: C1=CC(=NC2=C1C(=NC(=N2)Cl)Cl)Cl
Structure:
CAS RN: 1092352-34-5
CAS Name: 5-bromo-1,7-dimethylindazole
OPENEYE Name: 5-bromo-1,7-dimethyl-indazole
IUPAC Name: 5-bromo-1,7-dimethylindazole
SYSTEMATIC NAME: 5-bromanyl-1,7-dimethyl-indazole
MOLECULAR FORMULA: C9H9BrN2
MOLECULAR WEIGHT: 225.08516
SMILES: CC1=C2C(=CC(=C1)Br)C=NN2C
Structure:
CAS RN: 1000576-51-1
CAS Name: 3-cyano-1H-indole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 3-cyano-1H-indole-6-carboxylate
IUPAC Name: methyl 3-cyano-1H-indole-6-carboxylate
SYSTEMATIC NAME: methyl 3-cyano-1H-indole-6-carboxylate
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N
Structure:
CAS RN: 949922-61-6
CAS Name: 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
IUPAC Name: tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SYSTEMATIC NAME: tert-butyl 3-bromanyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
MOLECULAR FORMULA: C11H16BrN3O2
MOLECULAR WEIGHT: 302.16764
SMILES: CC(C)(C)OC(=O)N1CCN2C(=NC=C2Br)C1
Structure:
CAS RN: 635698-34-9
CAS Name: 6-(phenylmethyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
OPENEYE Name: 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
IUPAC Name: 6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-(phenylmethyl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: C1C2=C(CN1CC3=CC=CC=C3)NC(=O)NC2=O
Structure:
CAS RN: 1120214-92-7
CAS Name: 4-chloro-2-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylate
IUPAC Name: ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranylpyrrolo[2,1-f][1,2,4]triazine-2-carboxylate
MOLECULAR FORMULA: C9H8ClN3O2
MOLECULAR WEIGHT: 225.63172
SMILES: CCOC(=O)C1=NN2C=CC=C2C(=N1)Cl
Structure:
CAS RN: 165947-51-3
CAS Name: 6-[(2-methylpropan-2-yl)oxy-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
OPENEYE Name: 6-tert-butoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2)C(=O)O
Structure:
CAS RN: 916420-27-4
CAS Name: 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
IUPAC Name: tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SYSTEMATIC NAME: tert-butyl 2,4-bis(chloranyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
MOLECULAR FORMULA: C12H15Cl2N3O2
MOLECULAR WEIGHT: 304.1724
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(N=C2Cl)Cl
Structure:
CAS RN: 1000578-10-8
CAS Name: 4-oxo-1H-quinazoline-8-carboxylic acid methyl ester
OPENEYE Name: methyl 4-oxo-1H-quinazoline-8-carboxylate
IUPAC Name: methyl 4-oxo-1H-quinazoline-8-carboxylate
SYSTEMATIC NAME: methyl 4-oxidanylidene-1H-quinazoline-8-carboxylate
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: COC(=O)C1=CC=CC2=C1NC=NC2=O
Structure:
CAS RN: 778574-06-4
CAS Name: 2,4-dichloro-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
OPENEYE Name: 6-benzyl-2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
IUPAC Name: 6-benzyl-2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
MOLECULAR FORMULA: C14H13Cl2N3
MOLECULAR WEIGHT: 294.17912
SMILES: C1CN(CC2=C1N=C(N=C2Cl)Cl)CC3=CC=CC=C3
Structure:
CAS RN: 1053656-37-3
CAS Name: 5,7-dichloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Name: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: methyl 5,7-bis(chloranyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C8H5Cl2N3O2
MOLECULAR WEIGHT: 246.0502
SMILES: COC(=O)C1=C2N=C(C=C(N2N=C1)Cl)Cl
Structure:
CAS RN: 940284-55-9
CAS Name: 5,7-dichloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Name: methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: methyl 5,7-bis(chloranyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C8H5Cl2N3O2
MOLECULAR WEIGHT: 246.0502
SMILES: COC(=O)C1=C2N=C(C=C(N2N=C1)Cl)Cl
Structure:
CAS RN: 436803-36-0
CAS Name: 4-bromo-5-methoxy-2,3-dihydroinden-1-one
OPENEYE Name: 4-bromo-5-methoxy-indan-1-one
IUPAC Name: 4-bromo-5-methoxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 4-bromanyl-5-methoxy-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H9BrO2
MOLECULAR WEIGHT: 241.08126
SMILES: COC1=C(C2=C(C=C1)C(=O)CC2)Br
Structure:
CAS RN: 1053656-29-3
CAS Name: 2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
OPENEYE Name: 2-benzyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
IUPAC Name: 2-benzyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
SYSTEMATIC NAME: 2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1CN(CC2=C(C=CC=C21)C(=O)O)CC3=CC=CC=C3
Structure:
CAS RN: 800401-54-1
CAS Name: 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
OPENEYE Name: 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
IUPAC Name: 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H5ClN2O2
MOLECULAR WEIGHT: 196.5905
SMILES: C1=C2C(=CN=C1Cl)C=C(N2)C(=O)O
Structure:
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