CAS RN: 2752-38-7
CAS Name: 1-diethoxyphosphoryl-2,2,3-trimethylaziridine
OPENEYE Name: 1-diethoxyphosphoryl-2,2,3-trimethyl-aziridine
IUPAC Name: 1-diethoxyphosphoryl-2,2,3-trimethylaziridine
SYSTEMATIC NAME: 1-diethoxyphosphoryl-2,2,3-trimethyl-aziridine
MOLECULAR FORMULA: C9H20NO3P
MOLECULAR WEIGHT: 221.233761
SMILES: CCOP(=O)(N1C(C1(C)C)C)OCC
Structure:
CAS RN: 13493-22-6
CAS Name: N,N-di(propan-2-yl)-1-naphthalenecarboxamide
OPENEYE Name: N,N-diisopropylnaphthalene-1-carboxamide
IUPAC Name: N,N-di(propan-2-yl)naphthalene-1-carboxamide
SYSTEMATIC NAME: N,N-di(propan-2-yl)naphthalene-1-carboxamide
MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: CC(C)N(C(C)C)C(=O)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 2448-79-5
CAS Name: [1]benzothiolo[3,2-b]quinoxaline
OPENEYE Name: benzothiopheno[3,2-b]quinoxaline
IUPAC Name: [1]benzothiolo[3,2-b]quinoxaline
SYSTEMATIC NAME: [1]benzothiolo[3,2-b]quinoxaline
MOLECULAR FORMULA: C14H8N2S
MOLECULAR WEIGHT: 236.29172
SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3S2
Structure:
CAS RN: 116401-53-7
CAS Name: 2-fluoro-4-isothiocyanato-1-methylbenzene
OPENEYE Name: 2-fluoro-4-isothiocyanato-1-methyl-benzene
IUPAC Name: 2-fluoro-4-isothiocyanato-1-methylbenzene
SYSTEMATIC NAME: 2-fluoranyl-4-isothiocyanato-1-methyl-benzene
MOLECULAR FORMULA: C8H6FNS
MOLECULAR WEIGHT: 167.203343
SMILES: CC1=C(C=C(C=C1)N=C=S)F
Structure:
CAS RN: 4727-51-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H22O6
MOLECULAR WEIGHT: 286.32088
SMILES: CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(C=C)O)C
Structure:
CAS RN: 38763-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: CC1C(=C)C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C14CO4)(C)O
Structure:
CAS RN: 92333-46-5
CAS Name: 1,1-bis(ethylthio)-5-(triphenylmethyl)oxypentane-2,3,4-triol
OPENEYE Name: 1,1-bis(ethylsulfanyl)-5-trityloxy-pentane-2,3,4-triol
IUPAC Name: 1,1-bis(ethylsulfanyl)-5-trityloxypentane-2,3,4-triol
SYSTEMATIC NAME: 1,1-bis(ethylsulfanyl)-5-(triphenylmethyl)oxy-pentane-2,3,4-triol
MOLECULAR FORMULA: C28H34O4S2
MOLECULAR WEIGHT: 498.69716
SMILES: CCSC(C(C(C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)SCC
Structure:
CAS RN: 537-30-4
CAS Name: 3,4-dimethoxybenzoic acid 8-azabicyclo[3.2.1]octan-3-yl ester
OPENEYE Name: 8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
IUPAC Name: 8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
SYSTEMATIC NAME: 8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: COC1=C(C=C(C=C1)C(=O)OC2CC3CCC(C2)N3)OC
Structure:
CAS RN: 37203-76-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H11N3O4
MOLECULAR WEIGHT: 225.20134
SMILES: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N
Structure:
CAS RN: 10224-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H15N3O6
MOLECULAR WEIGHT: 285.2533
SMILES: CC(=O)O.C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N
Structure:
CAS RN: 10212-28-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H15N3O6
MOLECULAR WEIGHT: 285.2533
SMILES: CC(=O)O.C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N
Structure:
CAS RN: 509-15-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C
Structure:
CAS RN: 37762-99-5
CAS Name: dicyclopentylmethylcyclopentane
OPENEYE Name: dicyclopentylmethylcyclopentane
IUPAC Name: dicyclopentylmethylcyclopentane
SYSTEMATIC NAME: dicyclopentylmethylcyclopentane
MOLECULAR FORMULA: C16H28
MOLECULAR WEIGHT: 220.39352
SMILES: C1CCC(C1)C(C2CCCC2)C3CCCC3
Structure:
CAS RN: 4465-44-5
CAS Name: 3-hydroxy-2-[(triphenylmethyl)amino]propanoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-2-(tritylamino)propanoate
IUPAC Name: methyl 3-hydroxy-2-(tritylamino)propanoate
SYSTEMATIC NAME: methyl 3-oxidanyl-2-[(triphenylmethyl)amino]propanoate
MOLECULAR FORMULA: C23H23NO3
MOLECULAR WEIGHT: 361.43362
SMILES: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 3573-82-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO6
MOLECULAR WEIGHT: 353.41008
SMILES: CC=C1C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O
Structure:
CAS RN: 27682-64-0
CAS Name: 5-chloro-2-ethoxybenzaldehyde
OPENEYE Name: 5-chloro-2-ethoxy-benzaldehyde
IUPAC Name: 5-chloro-2-ethoxybenzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-ethoxy-benzaldehyde
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CCOC1=C(C=C(C=C1)Cl)C=O
Structure:
CAS RN: 92823-43-3
CAS Name: N-(2-amino-4,5-dichlorophenyl)benzenesulfonamide
OPENEYE Name: N-(2-amino-4,5-dichloro-phenyl)benzenesulfonamide
IUPAC Name: N-(2-amino-4,5-dichlorophenyl)benzenesulfonamide
SYSTEMATIC NAME: N-[2-azanyl-4,5-bis(chloranyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C12H10Cl2N2O2S
MOLECULAR WEIGHT: 317.191
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2N)Cl)Cl
Structure:
CAS RN: 2906-23-2
CAS Name: N-[2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-4,5-dichlorophenyl]benzenesulfonamide
OPENEYE Name: N-[2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyleneamino]-4,5-dichloro-phenyl]benzenesulfonamide
IUPAC Name: N-[2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-4,5-dichlorophenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-4,5-bis(chloranyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C24H23Cl4N3O2S
MOLECULAR WEIGHT: 559.33532
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=CC=C3)Cl)Cl
Structure:
CAS RN: 69875-89-4
CAS Name: N-[(2-methoxyphenyl)methyl]-1-phenylmethanamine
OPENEYE Name: N-[(2-methoxyphenyl)methyl]-1-phenyl-methanamine
IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methyl]-1-phenyl-methanamine
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: COC1=CC=CC=C1CNCC2=CC=CC=C2
Structure:
CAS RN: 74896-24-5
CAS Name: 4-amino-3,5-dimethylbenzonitrile
OPENEYE Name: 4-amino-3,5-dimethyl-benzonitrile
IUPAC Name: 4-amino-3,5-dimethylbenzonitrile
SYSTEMATIC NAME: 4-azanyl-3,5-dimethyl-benzenecarbonitrile
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=CC(=CC(=C1N)C)C#N
Structure:
CAS RN: 25787-43-3
CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(methylamino)-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(methylamino)tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(methylamino)oxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(methylamino)oxolan-3-ol
MOLECULAR FORMULA: C11H16N6O3
MOLECULAR WEIGHT: 280.28314
SMILES: CNC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO
Structure:
CAS RN: 84856-18-8
CAS Name: (2-bromo-5-chlorophenyl)-phenylmethanone
OPENEYE Name: (2-bromo-5-chloro-phenyl)-phenyl-methanone
IUPAC Name: (2-bromo-5-chlorophenyl)-phenylmethanone
SYSTEMATIC NAME: (2-bromanyl-5-chloranyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8BrClO
MOLECULAR WEIGHT: 295.55902
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)Br
Structure:
CAS RN: 2413-42-5
CAS Name: [1]benzothiolo[3,2-h]isoquinoline
OPENEYE Name: benzothiopheno[3,2-h]isoquinoline
IUPAC Name: [1]benzothiolo[3,2-h]isoquinoline
SYSTEMATIC NAME: [1]benzothiolo[3,2-h]isoquinoline
MOLECULAR FORMULA: C15H9NS
MOLECULAR WEIGHT: 235.30366
SMILES: C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CN=C4
Structure:
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