CAS RN: 72766-43-9
CAS Name: 1-(4,6-dinitro-1H-benzimidazol-5-yl)-2-(2-pyridinyl)hydrazine
OPENEYE Name: 1-(4,6-dinitro-1H-benzimidazol-5-yl)-2-(2-pyridyl)hydrazine
IUPAC Name: 1-(4,6-dinitro-1H-benzimidazol-5-yl)-2-pyridin-2-ylhydrazine
SYSTEMATIC NAME: 1-(4,6-dinitro-1H-benzimidazol-5-yl)-2-pyridin-2-yl-diazane
MOLECULAR FORMULA: C12H9N7O4
MOLECULAR WEIGHT: 315.24436
SMILES: C1=CC=NC(=C1)NNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 6496-66-8
CAS Name: 2-amino-8-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-8-[2-[(2,4-dichlorophenyl)methylene]hydrazino]-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-8-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-8-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C17H17Cl2N7O5
MOLECULAR WEIGHT: 470.26678
SMILES: C1=CC(=C(C=C1Cl)Cl)C=NNC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N
Structure:
CAS RN: 6496-05-5
CAS Name: 4-methoxy-3-(1-oxodecylamino)-N-phenylbenzamide
OPENEYE Name: 3-(decanoylamino)-4-methoxy-N-phenyl-benzamide
IUPAC Name: 3-(decanoylamino)-4-methoxy-N-phenylbenzamide
SYSTEMATIC NAME: 3-(decanoylamino)-4-methoxy-N-phenyl-benzamide
MOLECULAR FORMULA: C24H32N2O3
MOLECULAR WEIGHT: 396.52248
SMILES: CCCCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)OC
Structure:
CAS RN: 6493-60-3
CAS Name: N,N-diethyl-4-(2-pyrimidinyliminomethyl)aniline
OPENEYE Name: N,N-diethyl-4-(pyrimidin-2-yliminomethyl)aniline
IUPAC Name: N,N-diethyl-4-(pyrimidin-2-yliminomethyl)aniline
SYSTEMATIC NAME: N,N-diethyl-4-(pyrimidin-2-yliminomethyl)aniline
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: CCN(CC)C1=CC=C(C=C1)C=NC2=NC=CC=N2
Structure:
CAS RN: 6179-91-5
CAS Name: 2-[2-(2-carboxyanilino)anilino]benzoic acid
OPENEYE Name: 2-[2-(2-carboxyanilino)anilino]benzoic acid
IUPAC Name: 2-[2-(2-carboxyanilino)anilino]benzoic acid
SYSTEMATIC NAME: 2-[[2-[(2-carboxyphenyl)amino]phenyl]amino]benzoic acid
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2NC3=CC=CC=C3C(=O)O
Structure:
CAS RN: 6179-30-2
CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
OPENEYE Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide
IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
SYSTEMATIC NAME: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide
MOLECULAR FORMULA: C14H16BrN3OS
MOLECULAR WEIGHT: 354.26534
SMILES: CCC(CC)C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br
Structure:
CAS RN: 5587-83-7
CAS Name: 2-methoxy-4-[(2-oxo-1-benzopyran-6-yl)iminomethyl]benzoic acid (2-iodophenyl) ester
OPENEYE Name: (2-iodophenyl) 2-methoxy-4-[(2-oxochromen-6-yl)iminomethyl]benzoate
IUPAC Name: (2-iodophenyl) 2-methoxy-4-[(2-oxochromen-6-yl)iminomethyl]benzoate
SYSTEMATIC NAME: (2-iodanylphenyl) 2-methoxy-4-[(2-oxidanylidenechromen-6-yl)iminomethyl]benzoate
MOLECULAR FORMULA: C24H16INO5
MOLECULAR WEIGHT: 525.29201
SMILES: COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)OC(=O)C=C3)C(=O)OC4=CC=CC=C4I
Structure:
CAS RN: 5825-77-4
CAS Name: 5-[[5-chloro-2-[3-(3,5-dimethylphenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[5-chloro-2-[3-(3,5-dimethylphenoxy)propoxy]phenyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[5-chloro-2-[3-(3,5-dimethylphenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[5-chloranyl-2-[3-(3,5-dimethylphenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C27H24ClNO3S2
MOLECULAR WEIGHT: 510.06736
SMILES: CC1=CC(=CC(=C1)OCCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)C
Structure:
CAS RN: 5825-16-1
CAS Name: N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylideneamino]-2,6-bis(1-pyrrolidinyl)-4-pyrimidinamine
OPENEYE Name: N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxy-phenyl]methyleneamino]-2,6-dipyrrolidin-1-yl-pyrimidin-4-amine
IUPAC Name: N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
SYSTEMATIC NAME: N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxy-phenyl]methylideneamino]-2,6-dipyrrolidin-1-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C33H44N6O3
MOLECULAR WEIGHT: 572.74086
SMILES: CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)OCCOC5=CC=C(C=C5)C(C)(C)C
Structure:
CAS RN: 23132-21-0
CAS Name: 2-bromo-3-methyl-5-nitropyridine
OPENEYE Name: 2-bromo-3-methyl-5-nitro-pyridine
IUPAC Name: 2-bromo-3-methyl-5-nitropyridine
SYSTEMATIC NAME: 2-bromanyl-3-methyl-5-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: CC1=CC(=CN=C1Br)[N+](=O)[O-]
Structure:
CAS RN: 194490-15-8
CAS Name: 5-fluoro-1H-indole-3-carbonitrile
OPENEYE Name: 5-fluoro-1H-indole-3-carbonitrile
IUPAC Name: 5-fluoro-1H-indole-3-carbonitrile
SYSTEMATIC NAME: 5-fluoranyl-1H-indole-3-carbonitrile
MOLECULAR FORMULA: C9H5FN2
MOLECULAR WEIGHT: 160.147803
SMILES: C1=CC2=C(C=C1F)C(=CN2)C#N
Structure:
CAS RN: 15793-79-0
CAS Name: 5-quinolinylhydrazine
OPENEYE Name: 5-quinolylhydrazine
IUPAC Name: quinolin-5-ylhydrazine
SYSTEMATIC NAME: quinolin-5-yldiazane
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC2=C(C=CC=N2)C(=C1)NN
Structure:
CAS RN: 121148-01-4
CAS Name: (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
OPENEYE Name: O1-tert-butyl O2-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylate
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-aminopyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O2-methyl (2S,4S)-4-azanylpyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C11H20N2O4
MOLECULAR WEIGHT: 244.2875
SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N
Structure:
CAS RN: 126-17-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC16CCC(CN6)C
Structure:
CAS RN: 10271-85-9
CAS Name: 5-isothiazolecarboxylic acid
OPENEYE Name: isothiazole-5-carboxylic acid
IUPAC Name: 1,2-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 1,2-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C4H3NO2S
MOLECULAR WEIGHT: 129.13712
SMILES: C1=C(SN=C1)C(=O)O
Structure:
CAS RN: 24340-77-0
CAS Name: 4-bromoisothiazole
OPENEYE Name: 4-bromoisothiazole
IUPAC Name: 4-bromo-1,2-thiazole
SYSTEMATIC NAME: 4-bromanyl-1,2-thiazole
MOLECULAR FORMULA: C3H2BrNS
MOLECULAR WEIGHT: 164.02368
SMILES: C1=C(C=NS1)Br
Structure:
CAS RN: 33631-09-3
CAS Name: 4-methoxy-3-pyridinamine
OPENEYE Name: 4-methoxypyridin-3-amine
IUPAC Name: 4-methoxypyridin-3-amine
SYSTEMATIC NAME: 4-methoxypyridin-3-amine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: COC1=C(C=NC=C1)N
Structure:
CAS RN: 588730-16-9
CAS Name: N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
OPENEYE Name: N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
IUPAC Name: N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
MOLECULAR FORMULA: C5H9N3O
MOLECULAR WEIGHT: 127.14446
SMILES: CC1=NON=C1CNC
Structure:
CAS RN: 22990-34-7
CAS Name: 2-(4-piperidinyl)-2-propanol
OPENEYE Name: 2-(4-piperidyl)propan-2-ol
IUPAC Name: 2-piperidin-4-ylpropan-2-ol
SYSTEMATIC NAME: 2-piperidin-4-ylpropan-2-ol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(C)(C1CCNCC1)O
Structure:
CAS RN: 120811-32-7
CAS Name: 3-oxanamine
OPENEYE Name: tetrahydropyran-3-amine
IUPAC Name: oxan-3-amine
SYSTEMATIC NAME: oxan-3-amine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1CC(COC1)N
Structure:
CAS RN: 852431-02-8
CAS Name: N-methyl-1-(5-phenyl-3-isoxazolyl)methanamine
OPENEYE Name: N-methyl-1-(5-phenylisoxazol-3-yl)methanamine
IUPAC Name: N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CNCC1=NOC(=C1)C2=CC=CC=C2
Structure:
CAS RN: 113140-10-6
CAS Name: 5-methyl-1H-pyrazol-4-amine
OPENEYE Name: 5-methyl-1H-pyrazol-4-amine
IUPAC Name: 5-methyl-1H-pyrazol-4-amine
SYSTEMATIC NAME: 5-methyl-1H-pyrazol-4-amine
MOLECULAR FORMULA: C4H7N3
MOLECULAR WEIGHT: 97.11848
SMILES: CC1=C(C=NN1)N
Structure:
CAS RN: 89937-26-8
CAS Name: 1-(6-chloro-3-pyridazinyl)-4-piperidinol
OPENEYE Name: 1-(6-chloropyridazin-3-yl)piperidin-4-ol
IUPAC Name: 1-(6-chloropyridazin-3-yl)piperidin-4-ol
SYSTEMATIC NAME: 1-(6-chloranylpyridazin-3-yl)piperidin-4-ol
MOLECULAR FORMULA: C9H12ClN3O
MOLECULAR WEIGHT: 213.66408
SMILES: C1CN(CCC1O)C2=NN=C(C=C2)Cl
Structure:
CAS RN: 7101-96-4
CAS Name: 3-bromo-6-quinolinamine
OPENEYE Name: 3-bromoquinolin-6-amine
IUPAC Name: 3-bromoquinolin-6-amine
SYSTEMATIC NAME: 3-bromanylquinolin-6-amine
MOLECULAR FORMULA: C9H7BrN2
MOLECULAR WEIGHT: 223.06928
SMILES: C1=CC2=NC=C(C=C2C=C1N)Br
Structure:
CAS RN: 22246-07-7
CAS Name: 7-amino-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 7-amino-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 7-amino-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 7-azanyl-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: C1CC(=O)NC2=C1C=CC(=C2)N
Structure:
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