CAS RN: 33837-46-6
CAS Name: 4-nitrobenzoic acid 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl ester
OPENEYE Name: [1-methyl-2-(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] 4-nitrobenzoate
IUPAC Name: 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoate
SYSTEMATIC NAME: 1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 4-nitrobenzoate
MOLECULAR FORMULA: C20H17N3O7
MOLECULAR WEIGHT: 411.36488
SMILES: CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 4664-67-9
CAS Name: (1-chlorocyclohexyl)-[4-(dimethylamino)phenyl]methanone
OPENEYE Name: (1-chlorocyclohexyl)-[4-(dimethylamino)phenyl]methanone
IUPAC Name: (1-chlorocyclohexyl)-[4-(dimethylamino)phenyl]methanone
SYSTEMATIC NAME: (1-chloranylcyclohexyl)-[4-(dimethylamino)phenyl]methanone
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2(CCCCC2)Cl
Structure:
CAS RN: 31273-06-0
CAS Name: diethyl hydrogen phosphate; oxovanadium
OPENEYE Name: diethyl hydrogen phosphate; oxovanadium
IUPAC Name: diethyl hydrogen phosphate; oxovanadium
SYSTEMATIC NAME: diethyl hydrogen phosphate; oxidanylidenevanadium
MOLECULAR FORMULA: C8H22O9P2V
MOLECULAR WEIGHT: 375.143902
SMILES: CCOP(=O)(O)OCC.CCOP(=O)(O)OCC.O=[V]
Structure:
CAS RN: 73631-11-5
CAS Name: 2-chloro-N,N-bis(2-chloroethyl)-3-(1-naphthalenyloxy)-1-propanamine
OPENEYE Name: 2-chloro-N,N-bis(2-chloroethyl)-3-(1-naphthyloxy)propan-1-amine
IUPAC Name: 2-chloro-N,N-bis(2-chloroethyl)-3-naphthalen-1-yloxypropan-1-amine
SYSTEMATIC NAME: 2-chloranyl-N,N-bis(2-chloroethyl)-3-naphthalen-1-yloxy-propan-1-amine
MOLECULAR FORMULA: C17H20Cl3NO
MOLECULAR WEIGHT: 360.7058
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(CN(CCCl)CCCl)Cl
Structure:
CAS RN: 6520-40-7
CAS Name: 3-(methylamino)-2H-1,2,4-triazin-5-one
OPENEYE Name: 3-(methylamino)-2H-1,2,4-triazin-5-one
IUPAC Name: 3-(methylamino)-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-(methylamino)-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C4H6N4O
MOLECULAR WEIGHT: 126.11664
SMILES: CNC1=NC(=O)C=NN1
Structure:
CAS RN: 69123-51-9
CAS Name: 4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate
IUPAC Name: ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate
MOLECULAR FORMULA: C17H15N3O3S
MOLECULAR WEIGHT: 341.3843
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3S2
Structure:
CAS RN: 26129-62-4
CAS Name: 4-acetyloxy-7,8-dimethoxy-2-naphthalenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-acetoxy-7,8-dimethoxy-naphthalene-2-carboxylate
IUPAC Name: ethyl 4-acetyloxy-7,8-dimethoxynaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-acetyloxy-7,8-dimethoxy-naphthalene-2-carboxylate
MOLECULAR FORMULA: C17H18O6
MOLECULAR WEIGHT: 318.32122
SMILES: CCOC(=O)C1=CC(=C2C=CC(=C(C2=C1)OC)OC)OC(=O)C
Structure:
CAS RN: 60290-23-5
CAS Name: 1H-pyrrolo[3,2-c]pyridin-4-amine
OPENEYE Name: 1H-pyrrolo[3,2-c]pyridin-4-amine
IUPAC Name: 1H-pyrrolo[3,2-c]pyridin-4-amine
SYSTEMATIC NAME: 1H-pyrrolo[3,2-c]pyridin-4-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CNC2=C1C(=NC=C2)N
Structure:
CAS RN: 68775-04-2
CAS Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-iodo-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-iodo-tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-iodooxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-iodanyl-oxolan-3-ol
MOLECULAR FORMULA: C10H12IN5O3
MOLECULAR WEIGHT: 377.13845
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)I
Structure:
CAS RN: 65446-56-2
CAS Name: 5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-bromanyl-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12BrN5O3
MOLECULAR WEIGHT: 330.13798
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)Br
Structure:
CAS RN: 2627-62-5
CAS Name: 5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-chloranyl-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12ClN5O3
MOLECULAR WEIGHT: 285.68698
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)Cl
Structure:
CAS RN: 53382-89-1
CAS Name: N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-chloro-phosphoryl]-4-methyl-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-chloranyl-phosphoryl]-4-methyl-aniline
MOLECULAR FORMULA: C11H16Cl3N2OP
MOLECULAR WEIGHT: 329.590301
SMILES: CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)Cl
Structure:
CAS RN: 21909-49-9
CAS Name: 2-(2-methyl-1H-indol-3-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methyl-1H-indol-3-yl)acetate
IUPAC Name: ethyl 2-(2-methyl-1H-indol-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-methyl-1H-indol-3-yl)ethanoate
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCOC(=O)CC1=C(NC2=CC=CC=C21)C
Structure:
CAS RN: 70794-11-5
CAS Name: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
OPENEYE Name: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
IUPAC Name: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C(=O)O
Structure:
CAS RN: 1484-19-1
CAS Name: 3-ethyl-1H-indole
OPENEYE Name: 3-ethyl-1H-indole
IUPAC Name: 3-ethyl-1H-indole
SYSTEMATIC NAME: 3-ethyl-1H-indole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CCC1=CNC2=CC=CC=C21
Structure:
CAS RN: 77747-76-3
CAS Name: 6-hydroxy-2,2-dimethyl-1,3-dihydropyridin-4-one
OPENEYE Name: 6-hydroxy-2,2-dimethyl-1,3-dihydropyridin-4-one
IUPAC Name: 6-hydroxy-2,2-dimethyl-1,3-dihydropyridin-4-one
SYSTEMATIC NAME: 2,2-dimethyl-6-oxidanyl-1,3-dihydropyridin-4-one
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CC1(CC(=O)C=C(N1)O)C
Structure:
CAS RN: 77747-72-9
CAS Name: 6-mercapto-2,2-dimethyl-1,3-dihydropyridin-4-one
OPENEYE Name: 2,2-dimethyl-6-sulfanyl-1,3-dihydropyridin-4-one
IUPAC Name: 2,2-dimethyl-6-sulfanyl-1,3-dihydropyridin-4-one
SYSTEMATIC NAME: 2,2-dimethyl-6-sulfanyl-1,3-dihydropyridin-4-one
MOLECULAR FORMULA: C7H11NOS
MOLECULAR WEIGHT: 157.23334
SMILES: CC1(CC(=O)C=C(N1)S)C
Structure:
CAS RN: 72570-88-8
CAS Name: 1-(2,5-dimethoxyphenyl)-1-nonen-3-one
OPENEYE Name: 1-(2,5-dimethoxyphenyl)non-1-en-3-one
IUPAC Name: 1-(2,5-dimethoxyphenyl)non-1-en-3-one
SYSTEMATIC NAME: 1-(2,5-dimethoxyphenyl)non-1-en-3-one
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CCCCCCC(=O)C=CC1=C(C=CC(=C1)OC)OC
Structure:
CAS RN: 72570-91-3
CAS Name: 1-(4-nitrophenyl)-1-nonen-3-one
OPENEYE Name: 1-(4-nitrophenyl)non-1-en-3-one
IUPAC Name: 1-(4-nitrophenyl)non-1-en-3-one
SYSTEMATIC NAME: 1-(4-nitrophenyl)non-1-en-3-one
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CCCCCCC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 72570-84-4
CAS Name: 1-(3-hydroxyphenyl)-1-nonen-3-one
OPENEYE Name: 1-(3-hydroxyphenyl)non-1-en-3-one
IUPAC Name: 1-(3-hydroxyphenyl)non-1-en-3-one
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)non-1-en-3-one
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: CCCCCCC(=O)C=CC1=CC(=CC=C1)O
Structure:
CAS RN: 5154-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CN(C)CCCC12C3=CC=CC=C3C(C(O1)C4=CC=CC=C24)O
Structure:
CAS RN: 55975-02-5
CAS Name: 3-(6-ethyl-1-methyl-4-oxo-3-cinnolinyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(6-ethyl-1-methyl-4-oxo-cinnolin-3-yl)propanoate
IUPAC Name: ethyl 3-(6-ethyl-1-methyl-4-oxocinnolin-3-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(6-ethyl-1-methyl-4-oxidanylidene-cinnolin-3-yl)propanoate
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CCC1=CC2=C(C=C1)N(N=C(C2=O)CCC(=O)OCC)C
Structure:
CAS RN: 55974-86-2
CAS Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
OPENEYE Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
IUPAC Name: 3-(6-ethyl-4-oxo-1H-cinnolin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-(6-ethyl-4-oxidanylidene-1H-cinnolin-3-yl)propanoic acid
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CCC1=CC2=C(C=C1)NN=C(C2=O)CCC(=O)O
Structure:
CAS RN: 61191-22-8
CAS Name: 6-methyl-4-[2-(1-phenylpropylidene)hydrazinyl]-1H-pyridin-2-one
OPENEYE Name: 6-methyl-4-[2-(1-phenylpropylidene)hydrazino]-1H-pyridin-2-one
IUPAC Name: 6-methyl-4-[2-(1-phenylpropylidene)hydrazinyl]-1H-pyridin-2-one
SYSTEMATIC NAME: 6-methyl-4-[2-(1-phenylpropylidene)hydrazinyl]-1H-pyridin-2-one
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: CCC(=NNC1=CC(=O)NC(=C1)C)C2=CC=CC=C2
Structure:
CAS RN: 61191-21-7
CAS Name: 4-(2-butan-2-ylidenehydrazinyl)-6-methyl-1H-pyridin-2-one
OPENEYE Name: 6-methyl-4-[2-(1-methylpropylidene)hydrazino]-1H-pyridin-2-one
IUPAC Name: 4-(2-butan-2-ylidenehydrazinyl)-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 4-(2-butan-2-ylidenehydrazinyl)-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C10H15N3O
MOLECULAR WEIGHT: 193.2456
SMILES: CCC(=NNC1=CC(=O)NC(=C1)C)C
Structure:
CAS RN: 61190-99-6
CAS Name: 6-methyl-4-[(phenylmethyl)amino]-1H-pyridin-2-one
OPENEYE Name: 4-(benzylamino)-6-methyl-1H-pyridin-2-one
IUPAC Name: 4-(benzylamino)-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 6-methyl-4-[(phenylmethyl)amino]-1H-pyridin-2-one
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CC1=CC(=CC(=O)N1)NCC2=CC=CC=C2
Structure:
CAS RN: 74990-57-1
CAS Name: 4-(3-chloroanilino)-6-methyl-1H-pyridin-2-one
OPENEYE Name: 4-(3-chloroanilino)-6-methyl-1H-pyridin-2-one
IUPAC Name: 4-(3-chloroanilino)-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 4-[(3-chlorophenyl)amino]-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C12H11ClN2O
MOLECULAR WEIGHT: 234.68154
SMILES: CC1=CC(=CC(=O)N1)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 59295-03-3
CAS Name: 1-[2-[(3,4-dichlorophenyl)thio]-2-(4-methoxyphenyl)ethyl]imidazole; oxalic acid
OPENEYE Name: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethyl]imidazole; oxalic acid
IUPAC Name: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethyl]imidazole; oxalic acid
SYSTEMATIC NAME: 1-[2-(3,4-dichlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethyl]imidazole; ethanedioic acid
MOLECULAR FORMULA: C20H18Cl2N2O5S
MOLECULAR WEIGHT: 469.33832
SMILES: COC1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl.C(=O)(C(=O)O)O
Structure:
CAS RN: 56365-73-2
CAS Name: 2-phenyl-1-isoindolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-phenylisoindole-1-carboxylate
IUPAC Name: methyl 2-phenylisoindole-1-carboxylate
SYSTEMATIC NAME: methyl 2-phenylisoindole-1-carboxylate
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: COC(=O)C1=C2C=CC=CC2=CN1C3=CC=CC=C3
Structure:
CAS RN: 60651-99-2
CAS Name: 2-(phenylmethyl)-1-isoindolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-benzylisoindole-1-carboxylate
IUPAC Name: methyl 2-benzylisoindole-1-carboxylate
SYSTEMATIC NAME: methyl 2-(phenylmethyl)isoindole-1-carboxylate
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: COC(=O)C1=C2C=CC=CC2=CN1CC3=CC=CC=C3
Structure:
CAS RN: 56365-72-1
CAS Name: 2-methyl-1-isoindolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-methylisoindole-1-carboxylate
IUPAC Name: methyl 2-methylisoindole-1-carboxylate
SYSTEMATIC NAME: methyl 2-methylisoindole-1-carboxylate
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CN1C=C2C=CC=CC2=C1C(=O)OC
Structure:
CAS RN: 56365-71-0
CAS Name: 2H-isoindole-1-carboxylic acid methyl ester
OPENEYE Name: methyl 2H-isoindole-1-carboxylate
IUPAC Name: methyl 2H-isoindole-1-carboxylate
SYSTEMATIC NAME: methyl 2H-isoindole-1-carboxylate
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC(=O)C1=C2C=CC=CC2=CN1
Structure:
CAS RN: 53390-23-1
CAS Name: 5-[(2-hydroxyphenyl)-oxomethyl]-2-oxo-1H-pyridine-3-carboxamide
OPENEYE Name: 5-(2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carboxamide
IUPAC Name: 5-(2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carboxamide
SYSTEMATIC NAME: 5-(2-hydroxyphenyl)carbonyl-2-oxidanylidene-1H-pyridine-3-carboxamide
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC=C(C(=C1)C(=O)C2=CNC(=O)C(=C2)C(=O)N)O
Structure:
No comments:
Post a Comment