CAS RN: 49815-58-9
CAS Name: N-(2-iodocyclohexyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(2-iodocyclohexyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(2-iodocyclohexyl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(2-iodanylcyclohexyl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C11H20INO
MOLECULAR WEIGHT: 309.18707
SMILES: CC(C)(C)C(=O)NC1CCCCC1I
Structure:
CAS RN: 93115-29-8
CAS Name: 1,4-dithiin-2,3,5,6-tetracarboxamide
OPENEYE Name: 1,4-dithiine-2,3,5,6-tetracarboxamide
IUPAC Name: 1,4-dithiine-2,3,5,6-tetracarboxamide
SYSTEMATIC NAME: 1,4-dithiine-2,3,5,6-tetracarboxamide
MOLECULAR FORMULA: C8H8N4O4S2
MOLECULAR WEIGHT: 288.30352
SMILES: C1(=C(SC(=C(S1)C(=O)N)C(=O)N)C(=O)N)C(=O)N
Structure:
CAS RN: 4084-34-8
CAS Name: 1-(5-bicyclo[2.2.2]oct-2-enyl)ethanone
OPENEYE Name: 1-(5-bicyclo[2.2.2]oct-2-enyl)ethanone
IUPAC Name: 1-(5-bicyclo[2.2.2]oct-2-enyl)ethanone
SYSTEMATIC NAME: 1-(5-bicyclo[2.2.2]oct-2-enyl)ethanone
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC(=O)C1CC2CCC1C=C2
Structure:
CAS RN: 55486-27-6
CAS Name: 3-phenyl-1-(1-piperazinyl)-2-propen-1-one
OPENEYE Name: 3-phenyl-1-piperazin-1-yl-prop-2-en-1-one
IUPAC Name: 3-phenyl-1-piperazin-1-ylprop-2-en-1-one
SYSTEMATIC NAME: 3-phenyl-1-piperazin-1-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: C1CN(CCN1)C(=O)C=CC2=CC=CC=C2
Structure:
CAS RN: 6874-43-7
CAS Name: 5,7-dimethylocta-1,6-diene
OPENEYE Name: 5,7-dimethylocta-1,6-diene
IUPAC Name: 5,7-dimethylocta-1,6-diene
SYSTEMATIC NAME: 5,7-dimethylocta-1,6-diene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC(CCC=C)C=C(C)C
Structure:
CAS RN: 144082-88-2
CAS Name: 1,2,3,4,7,7-hexabromo-5-bicyclo[2.2.1]hept-2-enecarboxylic acid
OPENEYE Name: 1,2,3,4,7,7-hexabromobicyclo[2.2.1]hept-2-ene-5-carboxylic acid
IUPAC Name: 1,2,3,4,7,7-hexabromobicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SYSTEMATIC NAME: 1,2,3,4,7,7-hexakis(bromanyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
MOLECULAR FORMULA: C8H4Br6O2
MOLECULAR WEIGHT: 611.54016
SMILES: C1C(C2(C(=C(C1(C2(Br)Br)Br)Br)Br)Br)C(=O)O
Structure:
CAS RN: 29914-81-6
CAS Name: 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
OPENEYE Name: 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
MOLECULAR FORMULA: C20H14N4
MOLECULAR WEIGHT: 310.35196
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)C4=NC5=CC=CC=C5N4
Structure:
CAS RN: 60502-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16O
MOLECULAR WEIGHT: 248.31904
SMILES: CC(=O)C1CC2C3=CC=CC=C3C1C4=CC=CC=C24
Structure:
CAS RN: 35531-74-9
CAS Name: 1,4-dimethyl-1,2,4,5-tetrazine
OPENEYE Name: 1,4-dimethyl-1,2,4,5-tetrazine
IUPAC Name: 1,4-dimethyl-1,2,4,5-tetrazine
SYSTEMATIC NAME: 1,4-dimethyl-1,2,4,5-tetrazine
MOLECULAR FORMULA: C4H8N4
MOLECULAR WEIGHT: 112.13312
SMILES: CN1C=NN(C=N1)C
Structure:
CAS RN: 21744-57-0
CAS Name: 2-(5-amino-1-tetrazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(5-aminotetrazol-1-yl)acetate
IUPAC Name: ethyl 2-(5-aminotetrazol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(5-azanyl-1,2,3,4-tetrazol-1-yl)ethanoate
MOLECULAR FORMULA: C5H9N5O2
MOLECULAR WEIGHT: 171.15726
SMILES: CCOC(=O)CN1C(=NN=N1)N
Structure:
CAS RN: 42480-64-8
CAS Name: 2,2-dimethylpropanethioic acid S-methyl ester
OPENEYE Name: S-methyl 2,2-dimethylpropanethioate
IUPAC Name: S-methyl 2,2-dimethylpropanethioate
SYSTEMATIC NAME: S-methyl 2,2-dimethylpropanethioate
MOLECULAR FORMULA: C6H12OS
MOLECULAR WEIGHT: 132.22388
SMILES: CC(C)(C)C(=O)SC
Structure:
CAS RN: 24966-13-0
CAS Name: 2-(3-amino-1,2,4-triazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(3-amino-1,2,4-triazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(3-amino-1,2,4-triazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(3-azanyl-1,2,4-triazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C7H12N4O4
MOLECULAR WEIGHT: 216.19458
SMILES: C1=NC(=NN1C2C(C(C(O2)CO)O)O)N
Structure:
CAS RN: 23361-37-7
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(2-hydroxy-4-oxo-1-pyridinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(2-hydroxy-4-oxo-1-pyridyl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(2-hydroxy-4-oxopyridin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(2-oxidanyl-4-oxidanylidene-pyridin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H25NO9
MOLECULAR WEIGHT: 555.5315
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)C=C3O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 28279-62-1
CAS Name: 2-(7-amino-2-triazolo[4,5-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C9H12N6O4
MOLECULAR WEIGHT: 268.22938
SMILES: C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 25030-31-3
CAS Name: sulfamic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
MOLECULAR FORMULA: C10H14N6O6S
MOLECULAR WEIGHT: 346.31976
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COS(=O)(=O)N)O)O
Structure:
CAS RN: 24964-76-9
CAS Name: 2-(hydroxymethyl)-5-(3-nitro-1,2,4-triazol-1-yl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(3-nitro-1,2,4-triazol-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(3-nitro-1,2,4-triazol-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(3-nitro-1,2,4-triazol-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C7H10N4O6
MOLECULAR WEIGHT: 246.1775
SMILES: C1=NC(=NN1C2C(C(C(O2)CO)O)O)[N+](=O)[O-]
Structure:
CAS RN: 20265-39-8
CAS Name: 2-methoxy-4-pyridinamine
OPENEYE Name: 2-methoxypyridin-4-amine
IUPAC Name: 2-methoxypyridin-4-amine
SYSTEMATIC NAME: 2-methoxypyridin-4-amine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: COC1=NC=CC(=C1)N
Structure:
CAS RN: 2872-96-0
CAS Name: 1,2-diphenyl-1,3-dihydroisoindole
OPENEYE Name: 1,2-diphenylisoindoline
IUPAC Name: 1,2-diphenyl-1,3-dihydroisoindole
SYSTEMATIC NAME: 1,2-diphenyl-1,3-dihydroisoindole
MOLECULAR FORMULA: C20H17N
MOLECULAR WEIGHT: 271.35568
SMILES: C1C2=CC=CC=C2C(N1C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 24097-27-6
CAS Name: 3-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazole
OPENEYE Name: 3-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazole
IUPAC Name: 3-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazole
SYSTEMATIC NAME: 3-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazole
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1CCC2=NOC(=C2C1)C3=CC=CC=C3
Structure:
CAS RN: 27301-50-4
CAS Name: 5-(4-chlorophenyl)-1,4-diphenyl-3-(phenylmethyl)pyrazole
OPENEYE Name: 3-benzyl-5-(4-chlorophenyl)-1,4-diphenyl-pyrazole
IUPAC Name: 3-benzyl-5-(4-chlorophenyl)-1,4-diphenylpyrazole
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1,4-diphenyl-3-(phenylmethyl)pyrazole
MOLECULAR FORMULA: C28H21ClN2
MOLECULAR WEIGHT: 420.93274
SMILES: C1=CC=C(C=C1)CC2=NN(C(=C2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
Structure:
CAS RN: 27462-45-9
CAS Name: 1,5-bis(4-chlorophenyl)-3-phenylpyrazole
OPENEYE Name: 1,5-bis(4-chlorophenyl)-3-phenyl-pyrazole
IUPAC Name: 1,5-bis(4-chlorophenyl)-3-phenylpyrazole
SYSTEMATIC NAME: 1,5-bis(4-chlorophenyl)-3-phenyl-pyrazole
MOLECULAR FORMULA: C21H14Cl2N2
MOLECULAR WEIGHT: 365.25526
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 27460-27-1
CAS Name: 3-(4-chlorophenyl)-1,5-diphenylpyrazole
OPENEYE Name: 3-(4-chlorophenyl)-1,5-diphenyl-pyrazole
IUPAC Name: 3-(4-chlorophenyl)-1,5-diphenylpyrazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,5-diphenyl-pyrazole
MOLECULAR FORMULA: C21H15ClN2
MOLECULAR WEIGHT: 330.8102
SMILES: C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 83088-99-7
CAS Name: 4-[(2-oxo-3-indolyl)amino]benzenesulfonamide
OPENEYE Name: 4-[(2-oxoindol-3-yl)amino]benzenesulfonamide
IUPAC Name: 4-[(2-oxoindol-3-yl)amino]benzenesulfonamide
SYSTEMATIC NAME: 4-[(2-oxidanylideneindol-3-yl)amino]benzenesulfonamide
MOLECULAR FORMULA: C14H11N3O3S
MOLECULAR WEIGHT: 301.32044
SMILES: C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)N
Structure:
CAS RN: 28558-59-0
CAS Name: 4-[(2-oxo-3-indolyl)amino]-N-(2-thiazolyl)benzenesulfonamide
OPENEYE Name: 4-[(2-oxoindol-3-yl)amino]-N-thiazol-2-yl-benzenesulfonamide
IUPAC Name: 4-[(2-oxoindol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[(2-oxidanylideneindol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C17H12N4O3S2
MOLECULAR WEIGHT: 384.43218
SMILES: C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
Structure:
CAS RN: 13387-98-9
CAS Name: 1,1-dibromo-2-methyl-1-propene
OPENEYE Name: 1,1-dibromo-2-methyl-prop-1-ene
IUPAC Name: 1,1-dibromo-2-methylprop-1-ene
SYSTEMATIC NAME: 1,1-bis(bromanyl)-2-methyl-prop-1-ene
MOLECULAR FORMULA: C4H6Br2
MOLECULAR WEIGHT: 213.89844
SMILES: CC(=C(Br)Br)C
Structure:
CAS RN: 30826-46-1
CAS Name: 1-diphenylphosphoryl-2-phenylaziridine
OPENEYE Name: 1-diphenylphosphoryl-2-phenyl-aziridine
IUPAC Name: 1-diphenylphosphoryl-2-phenylaziridine
SYSTEMATIC NAME: 1-diphenylphosphoryl-2-phenyl-aziridine
MOLECULAR FORMULA: C20H18NOP
MOLECULAR WEIGHT: 319.336781
SMILES: C1C(N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 3317-99-5
CAS Name: 1-(2-adamantyl)-3-(2-fluoroethyl)urea
OPENEYE Name: 1-(2-adamantyl)-3-(2-fluoroethyl)urea
IUPAC Name: 1-(2-adamantyl)-3-(2-fluoroethyl)urea
SYSTEMATIC NAME: 1-(2-adamantyl)-3-(2-fluoranylethyl)urea
MOLECULAR FORMULA: C13H21FN2O
MOLECULAR WEIGHT: 240.317043
SMILES: C1C2CC3CC1CC(C2)C3NC(=O)NCCF
Structure:
CAS RN: 33279-46-8
CAS Name: 1-(2-chloroethyl)-3-(1-cyclohex-2-enyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-cyclohex-2-en-1-yl-urea
IUPAC Name: 1-(2-chloroethyl)-3-cyclohex-2-en-1-ylurea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-cyclohex-2-en-1-yl-urea
MOLECULAR FORMULA: C9H15ClN2O
MOLECULAR WEIGHT: 202.6812
SMILES: C1CC=CC(C1)NC(=O)NCCCl
Structure:
CAS RN: 33210-01-4
CAS Name: 1,3-bis(1-cyclohex-2-enyl)urea
OPENEYE Name: 1,3-di(cyclohex-2-en-1-yl)urea
IUPAC Name: 1,3-di(cyclohex-2-en-1-yl)urea
SYSTEMATIC NAME: 1,3-di(cyclohex-2-en-1-yl)urea
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: C1CC=CC(C1)NC(=O)NC2CCCC=C2
Structure:
CAS RN: 51146-91-9
CAS Name: [3-(7-amino-3-triazolo[4,5-d]pyrimidinyl)cyclopentyl]methanol
OPENEYE Name: [3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
IUPAC Name: [3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
SYSTEMATIC NAME: [3-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
MOLECULAR FORMULA: C10H14N6O
MOLECULAR WEIGHT: 234.25776
SMILES: C1CC(CC1CO)N2C3=C(C(=NC=N3)N)N=N2
Structure:
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