CAS RN: 71605-87-3
CAS Name: [(E)-2-(dimethoxymethyl)oct-1-enyl]benzene
OPENEYE Name: [(E)-2-(dimethoxymethyl)oct-1-enyl]benzene
IUPAC Name: [(E)-2-(dimethoxymethyl)oct-1-enyl]benzene
SYSTEMATIC NAME: [(E)-2-(dimethoxymethyl)oct-1-enyl]benzene
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CCCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
Structure:
CAS RN: 40719-58-2
CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]acetic acid hydrochloride
OPENEYE Name: 2-(2,6-diaminohexanoylamino)acetic acid hydrochloride
IUPAC Name: 2-(2,6-diaminohexanoylamino)acetic acid hydrochloride
SYSTEMATIC NAME: 2-[2,6-bis(azanyl)hexanoylamino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C8H18ClN3O3
MOLECULAR WEIGHT: 239.69982
SMILES: C(CCN)CC(C(=O)NCC(=O)O)N.Cl
Structure:
CAS RN: 79245-95-7
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; tetradecyl dihydrogen phosphate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; tetradecyl dihydrogen phosphate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; tetradecyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; tetradecyl dihydrogen phosphate
MOLECULAR FORMULA: C20H46NO7P
MOLECULAR WEIGHT: 443.555501
SMILES: CCCCCCCCCCCCCCOP(=O)(O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 90090-62-3
CAS Name: 4-(ethylthio)aniline hydrochloride
OPENEYE Name: 4-ethylsulfanylaniline hydrochloride
IUPAC Name: 4-ethylsulfanylaniline hydrochloride
SYSTEMATIC NAME: 4-ethylsulfanylaniline hydrochloride
MOLECULAR FORMULA: C8H12ClNS
MOLECULAR WEIGHT: 189.70558
SMILES: CCSC1=CC=C(C=C1)N.Cl
Structure:
CAS RN: 289039-53-8
CAS Name: 1,4-dibromo-2-ethylbenzene
OPENEYE Name: 1,4-dibromo-2-ethyl-benzene
IUPAC Name: 1,4-dibromo-2-ethylbenzene
SYSTEMATIC NAME: 1,4-bis(bromanyl)-2-ethyl-benzene
MOLECULAR FORMULA: C8H8Br2
MOLECULAR WEIGHT: 263.95712
SMILES: CCC1=C(C=CC(=C1)Br)Br
Structure:
CAS RN: 109105-51-3
CAS Name: 1-(phenylmethyl)-4-azepanamine
OPENEYE Name: 1-benzylazepan-4-amine
IUPAC Name: 1-benzylazepan-4-amine
SYSTEMATIC NAME: 1-(phenylmethyl)azepan-4-amine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: C1CC(CCN(C1)CC2=CC=CC=C2)N
Structure:
CAS RN: 196613-57-7
CAS Name: 4-amino-1-azepanecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-aminoazepane-1-carboxylate
IUPAC Name: tert-butyl 4-aminoazepane-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-azanylazepane-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCCC(CC1)N
Structure:
CAS RN: 94977-59-0
CAS Name: 2-methyl-1,3-benzothiazol-4-ol
OPENEYE Name: 2-methyl-1,3-benzothiazol-4-ol
IUPAC Name: 2-methyl-1,3-benzothiazol-4-ol
SYSTEMATIC NAME: 2-methyl-1,3-benzothiazol-4-ol
MOLECULAR FORMULA: C8H7NOS
MOLECULAR WEIGHT: 165.21228
SMILES: CC1=NC2=C(C=CC=C2S1)O
Structure:
CAS RN: 214357-95-6
CAS Name: 1-methyl-3-pyrrolidinamine
OPENEYE Name: 1-methylpyrrolidin-3-amine
IUPAC Name: 1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: 1-methylpyrrolidin-3-amine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CN1CCC(C1)N
Structure:
CAS RN: 13220-27-4
CAS Name: 1-methyl-3-pyrrolidinamine
OPENEYE Name: 1-methylpyrrolidin-3-amine
IUPAC Name: 1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: 1-methylpyrrolidin-3-amine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CN1CCC(C1)N
Structure:
CAS RN: 457097-75-5
CAS Name: 1-methyl-3-pyrrolidinamine
OPENEYE Name: 1-methylpyrrolidin-3-amine
IUPAC Name: 1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: 1-methylpyrrolidin-3-amine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CN1CCC(C1)N
Structure:
CAS RN: 852874-61-4
CAS Name: 1-methyl-3-pyrrolidinamine
OPENEYE Name: 1-methylpyrrolidin-3-amine
IUPAC Name: 1-methylpyrrolidin-3-amine
SYSTEMATIC NAME: 1-methylpyrrolidin-3-amine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CN1CCC(C1)N
Structure:
CAS RN: 20859-38-5
CAS Name: ammonia; fluorophosphonic acid
OPENEYE Name: ammonia; fluorophosphonic acid
IUPAC Name: azane; fluorophosphonic acid
SYSTEMATIC NAME: azane; fluoranylphosphonic acid
MOLECULAR FORMULA: FH5NO3P
MOLECULAR WEIGHT: 117.016764
SMILES: N.OP(=O)(O)F
Structure:
CAS RN: 144163-81-5
CAS Name: N-methyl-1-(2-methyl-4-thiazolyl)methanamine
OPENEYE Name: N-methyl-1-(2-methylthiazol-4-yl)methanamine
IUPAC Name: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
MOLECULAR FORMULA: C6H10N2S
MOLECULAR WEIGHT: 142.222
SMILES: CC1=NC(=CS1)CNC
Structure:
CAS RN: 95454-29-8
CAS Name: 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid methyl ester
OPENEYE Name: methyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
IUPAC Name: methyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
SYSTEMATIC NAME: methyl 4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butanoate
MOLECULAR FORMULA: C7H9N3O3S
MOLECULAR WEIGHT: 215.22966
SMILES: COC(=O)CCC(=O)NC1=NN=CS1
Structure:
CAS RN: 178758-80-0
CAS Name: 5-amino-1-(3-pyridinyl)-1-pentanone dihydrochloride
OPENEYE Name: 5-amino-1-(3-pyridyl)pentan-1-one dihydrochloride
IUPAC Name: 5-amino-1-pyridin-3-ylpentan-1-one dihydrochloride
SYSTEMATIC NAME: 5-azanyl-1-pyridin-3-yl-pentan-1-one dihydrochloride
MOLECULAR FORMULA: C10H16Cl2N2O
MOLECULAR WEIGHT: 251.15284
SMILES: C1=CC(=CN=C1)C(=O)CCCCN.Cl.Cl
Structure:
CAS RN: 165377-40-2
CAS Name: N,N-bis(2-chloroethyl)-3-phenyl-1-propanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-3-phenyl-propan-1-amine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-3-phenyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C13H20Cl3N
MOLECULAR WEIGHT: 296.6636
SMILES: C1=CC=C(C=C1)CCCN(CCCl)CCCl.Cl
Structure:
CAS RN: 118811-03-3
CAS Name: 2-(2-hydroxyethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O3
MOLECULAR WEIGHT: 230.30398
SMILES: CC(C)(C)OC(=O)N1CCNCC1CCO
Structure:
CAS RN: 258506-66-0
CAS Name: 2-chloro-6-iodopyridine
OPENEYE Name: 2-chloro-6-iodo-pyridine
IUPAC Name: 2-chloro-6-iodopyridine
SYSTEMATIC NAME: 2-chloranyl-6-iodanyl-pyridine
MOLECULAR FORMULA: C5H3ClIN
MOLECULAR WEIGHT: 239.44149
SMILES: C1=CC(=NC(=C1)I)Cl
Structure:
CAS RN: 187396-76-5
CAS Name: 5-iodo-2-methoxybenzoic acid ethyl ester
OPENEYE Name: ethyl 5-iodo-2-methoxy-benzoate
IUPAC Name: ethyl 5-iodo-2-methoxybenzoate
SYSTEMATIC NAME: ethyl 5-iodanyl-2-methoxy-benzoate
MOLECULAR FORMULA: C10H11IO3
MOLECULAR WEIGHT: 306.09701
SMILES: CCOC(=O)C1=C(C=CC(=C1)I)OC
Structure:
CAS RN: 179003-08-8
CAS Name: 3-(1-piperazinyl)benzoic acid methyl ester
OPENEYE Name: methyl 3-piperazin-1-ylbenzoate
IUPAC Name: methyl 3-piperazin-1-ylbenzoate
SYSTEMATIC NAME: methyl 3-piperazin-1-ylbenzoate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: COC(=O)C1=CC(=CC=C1)N2CCNCC2
Structure:
CAS RN: 131922-15-1
CAS Name: 2-(2-benzofuranyl)-2-oxoacetaldehyde
OPENEYE Name: 2-(benzofuran-2-yl)-2-oxo-acetaldehyde
IUPAC Name: 2-(1-benzofuran-2-yl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(1-benzofuran-2-yl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C10H6O3
MOLECULAR WEIGHT: 174.15284
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)C=O
Structure:
CAS RN: 741698-94-2
CAS Name: 3-bromo-4-propan-2-ylbenzoic acid
OPENEYE Name: 3-bromo-4-isopropyl-benzoic acid
IUPAC Name: 3-bromo-4-propan-2-ylbenzoic acid
SYSTEMATIC NAME: 3-bromanyl-4-propan-2-yl-benzoic acid
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CC(C)C1=C(C=C(C=C1)C(=O)O)Br
Structure:
CAS RN: 183320-12-9
CAS Name: 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol hydrochloride
OPENEYE Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol hydrochloride
SYSTEMATIC NAME: 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol hydrochloride
MOLECULAR FORMULA: C20H20ClN3O4
MOLECULAR WEIGHT: 401.8435
SMILES: C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO.Cl
Structure:
CAS RN: 183322-21-6
CAS Name: 4-chloro-6,7-bis(2-chloroethoxy)quinazoline
OPENEYE Name: 4-chloro-6,7-bis(2-chloroethoxy)quinazoline
IUPAC Name: 4-chloro-6,7-bis(2-chloroethoxy)quinazoline
SYSTEMATIC NAME: 4-chloranyl-6,7-bis(2-chloroethyloxy)quinazoline
MOLECULAR FORMULA: C12H11Cl3N2O2
MOLECULAR WEIGHT: 321.58694
SMILES: C1=C2C(=CC(=C1OCCCl)OCCCl)N=CN=C2Cl
Structure:
CAS RN: 183320-51-6
CAS Name: 2-[[4-(3-ethynylanilino)-6-(2-methoxyethoxy)-7-quinazolinyl]oxy]ethanol hydrochloride
OPENEYE Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol hydrochloride
IUPAC Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol hydrochloride
SYSTEMATIC NAME: 2-[4-[(3-ethynylphenyl)amino]-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol hydrochloride
MOLECULAR FORMULA: C21H22ClN3O4
MOLECULAR WEIGHT: 415.87008
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCO.Cl
Structure:
CAS RN: 190271-88-6
CAS Name: 2-chloro-5-nitro-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-chloro-5-nitro-pyridine-3-carboxylate
IUPAC Name: methyl 2-chloro-5-nitropyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-chloranyl-5-nitro-pyridine-3-carboxylate
MOLECULAR FORMULA: C7H5ClN2O4
MOLECULAR WEIGHT: 216.5786
SMILES: COC(=O)C1=CC(=CN=C1Cl)[N+](=O)[O-]
Structure:
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