Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 3438-87-7
CAS Name: 7-[(3-fluorophenyl)methylthio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-[(3-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-[(3-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-[(3-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C12H9FN4S2
MOLECULAR WEIGHT: 292.355063
SMILES: C1=CC(=CC(=C1)F)CSC2=C3C(=NC=N3)C(=S)NN2
Structure:

CAS RN: 7369-69-9
CAS Name: 4-chloro-10H-phenothiazine
OPENEYE Name: 4-chloro-10H-phenothiazine
IUPAC Name: 4-chloro-10H-phenothiazine
SYSTEMATIC NAME: 4-chloranyl-10H-phenothiazine
MOLECULAR FORMULA: C12H8ClNS
MOLECULAR WEIGHT: 233.71662
SMILES: C1=CC=C2C(=C1)NC3=C(S2)C(=CC=C3)Cl
Structure:

CAS RN: 100637-60-3
CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
OPENEYE Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
IUPAC Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
SYSTEMATIC NAME: 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate
MOLECULAR FORMULA: C10H8NO3S-
MOLECULAR WEIGHT: 222.24042
SMILES: C1C(=O)N(C2=CC=CC=C2S1)CC(=O)[O-]
Structure:

CAS RN: 77923-82-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1(CCCC2C13CCC(C3)(C2=O)C)C
Structure:

CAS RN: 657-50-1
CAS Name: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
OPENEYE Name: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
IUPAC Name: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C6H5F3N2S
MOLECULAR WEIGHT: 194.17751
SMILES: CC1=CC(=S)N=C(N1)C(F)(F)F
Structure:

CAS RN: 56542-69-9
CAS Name: 3-(ethylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 3-(ethylsulfamoyl)benzenecarbothioamide
IUPAC Name: 3-(ethylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 3-(ethylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C9H12N2O2S2
MOLECULAR WEIGHT: 244.33378
SMILES: CCNS(=O)(=O)C1=CC=CC(=C1)C(=S)N
Structure:

CAS RN: 79100-21-3
CAS Name: 1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
OPENEYE Name: 1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
IUPAC Name: 1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
SYSTEMATIC NAME: 1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=CN=C2C(=N1)NC(=S)N2
Structure:

CAS RN: 124337-34-4
CAS Name: 9-(1-benzotriazolylmethyl)carbazole
OPENEYE Name: 9-(benzotriazol-1-ylmethyl)carbazole
IUPAC Name: 9-(benzotriazol-1-ylmethyl)carbazole
SYSTEMATIC NAME: 9-(benzotriazol-1-ylmethyl)carbazole
MOLECULAR FORMULA: C19H14N4
MOLECULAR WEIGHT: 298.34126
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CN4C5=CC=CC=C5N=N4
Structure:

CAS RN: 164175-55-7
CAS Name: 1-[5-(2,5-dioxo-1-pyrrolyl)-4-methylpentyl]pyrrole-2,5-dione
OPENEYE Name: 1-[5-(2,5-dioxopyrrol-1-yl)-4-methyl-pentyl]pyrrole-2,5-dione
IUPAC Name: 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-methyl-pentyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: CC(CCCN1C(=O)C=CC1=O)CN2C(=O)C=CC2=O
Structure:

CAS RN: 97609-01-3
CAS Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
OPENEYE Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
IUPAC Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
SYSTEMATIC NAME: 2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoate
MOLECULAR FORMULA: C9H6N3O3-
MOLECULAR WEIGHT: 204.16224
SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)[O-]
Structure:

CAS RN: 436096-79-6
CAS Name: (4-ethylphenyl)methyl-(3-pyridinylmethyl)ammonium
OPENEYE Name: (4-ethylphenyl)methyl-(3-pyridylmethyl)ammonium
IUPAC Name: (4-ethylphenyl)methyl-(pyridin-3-ylmethyl)azanium
SYSTEMATIC NAME: (4-ethylphenyl)methyl-(pyridin-3-ylmethyl)azanium
MOLECULAR FORMULA: C15H19N2+
MOLECULAR WEIGHT: 227.32476
SMILES: CCC1=CC=C(C=C1)C[NH2+]CC2=CN=CC=C2
Structure:

CAS RN: 118427-55-7
CAS Name: sodium 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoate
OPENEYE Name: sodium 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoate
IUPAC Name: sodium 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate
SYSTEMATIC NAME: sodium 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate
MOLECULAR FORMULA: C27H33ClNNaO2S
MOLECULAR WEIGHT: 494.06419
SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl.[Na+]
Structure:

CAS RN: 21409-32-5
CAS Name: 2-naphthalenyl sulfate
OPENEYE Name: 2-naphthyl sulfate
IUPAC Name: naphthalen-2-yl sulfate
SYSTEMATIC NAME: naphthalen-2-yl sulfate
MOLECULAR FORMULA: C10H7O4S-
MOLECULAR WEIGHT: 223.22518
SMILES: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)[O-]
Structure:

CAS RN: 13737-36-5
CAS Name: 2-[4-(bromomethyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(bromomethyl)phenyl]acetic acid
IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(bromomethyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: C1=CC(=CC=C1CC(=O)O)CBr
Structure:

CAS RN: 6443-29-4
CAS Name: N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(1-naphthalenyl)amino]acetamide
OPENEYE Name: N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(1-naphthyl)amino]acetamide
IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]ethanamide
MOLECULAR FORMULA: C21H22N2O4S
MOLECULAR WEIGHT: 398.47538
SMILES: COC1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C
Structure:

CAS RN: 130465-45-1
CAS Name: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol
OPENEYE Name: 1-(aminomethyl)-3-phenyl-isochromane-5,6-diol
IUPAC Name: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol
SYSTEMATIC NAME: 1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: C1C(OC(C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3
Structure:

CAS RN: 111104-25-7
CAS Name: 2-(5,6-dichloro-1,3-dioxo-2-isoindolyl)acetate
OPENEYE Name: 2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)acetate
IUPAC Name: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
SYSTEMATIC NAME: 2-[5,6-bis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate
MOLECULAR FORMULA: C10H4Cl2NO4-
MOLECULAR WEIGHT: 273.04906
SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)N(C2=O)CC(=O)[O-]
Structure:

CAS RN: 29147-33-9
CAS Name: 4-(4-ethoxyphenyl)azo-3,5-dimethyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(4-ethoxyphenyl)azo-3,5-dimethyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(4-ethoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(4-ethoxyphenyl)diazenyl]-3,5-dimethyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C14H17N5OS
MOLECULAR WEIGHT: 303.38268
SMILES: CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C)C(=S)N)C
Structure:

CAS RN: 14359-62-7
CAS Name: [3-oxo-3-(10-phenothiazinyl)propyl]ammonium
OPENEYE Name: (3-oxo-3-phenothiazin-10-yl-propyl)ammonium
IUPAC Name: (3-oxo-3-phenothiazin-10-ylpropyl)azanium
SYSTEMATIC NAME: (3-oxidanylidene-3-phenothiazin-10-yl-propyl)azanium
MOLECULAR FORMULA: C15H15N2OS+
MOLECULAR WEIGHT: 271.3574
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CC[NH3+]
Structure:

CAS RN: 23193-24-0
CAS Name: 5-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C16H10N4O4S2
MOLECULAR WEIGHT: 386.405
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)C=C3C(=O)NC(=S)NC3=O
Structure:

CAS RN: 37436-94-5
CAS Name: N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
IUPAC Name: ethyl N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
SYSTEMATIC NAME: ethyl N-(7-chloranyl-1H-imidazo[4,5-b]pyridin-5-yl)carbamate
MOLECULAR FORMULA: C9H9ClN4O2
MOLECULAR WEIGHT: 240.64636
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)Cl)NC=N2
Structure:

CAS RN: 113248-64-9
CAS Name: (4-fluorophenyl)methyl-(3-pyridinylmethyl)ammonium
OPENEYE Name: (4-fluorophenyl)methyl-(3-pyridylmethyl)ammonium
IUPAC Name: (4-fluorophenyl)methyl-(pyridin-3-ylmethyl)azanium
SYSTEMATIC NAME: (4-fluorophenyl)methyl-(pyridin-3-ylmethyl)azanium
MOLECULAR FORMULA: C13H14FN2+
MOLECULAR WEIGHT: 217.262063
SMILES: C1=CC(=CN=C1)C[NH2+]CC2=CC=C(C=C2)F
Structure:

CAS RN: 96885-27-7
CAS Name: 2,4-dimethyl-7-(4-methylphenyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 2,4-dimethyl-6-phenyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 2,4-dimethyl-7-(4-methylphenyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 2,4-dimethyl-7-(4-methylphenyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C22H19N5O2
MOLECULAR WEIGHT: 385.41856
SMILES: CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=CC=C5)N(C(=O)N(C4=O)C)C
Structure:

CAS RN: 6374-90-9
CAS Name: 6-chloro-7-methyl-1H-indole-2,3-dione
OPENEYE Name: 6-chloro-7-methyl-indoline-2,3-dione
IUPAC Name: 6-chloro-7-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 6-chloranyl-7-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C9H6ClNO2
MOLECULAR WEIGHT: 195.60244
SMILES: CC1=C(C=CC2=C1NC(=O)C2=O)Cl
Structure:

CAS RN: 20780-72-7
CAS Name: 4-bromo-1H-indole-2,3-dione
OPENEYE Name: 4-bromoindoline-2,3-dione
IUPAC Name: 4-bromo-1H-indole-2,3-dione
SYSTEMATIC NAME: 4-bromanyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C8H4BrNO2
MOLECULAR WEIGHT: 226.02686
SMILES: C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2
Structure:

CAS RN: 5892-99-9
CAS Name: 4-bromo-N,N-diethylbenzamide
OPENEYE Name: 4-bromo-N,N-diethyl-benzamide
IUPAC Name: 4-bromo-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-bromanyl-N,N-diethyl-benzamide
MOLECULAR FORMULA: C11H14BrNO
MOLECULAR WEIGHT: 256.13896
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)Br
Structure:

CAS RN: 64641-92-5
CAS Name: 8-hydroxy-5-quinolinesulfonyl chloride
OPENEYE Name: 8-hydroxyquinoline-5-sulfonyl chloride
IUPAC Name: 8-hydroxyquinoline-5-sulfonyl chloride
SYSTEMATIC NAME: 8-oxidanylquinoline-5-sulfonyl chloride
MOLECULAR FORMULA: C9H6ClNO3S
MOLECULAR WEIGHT: 243.66684
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)Cl
Structure:

CAS RN: 1067-70-5
CAS Name: 2-[propan-2-yloxy(prop-2-enyl)phosphoryl]oxypropane
OPENEYE Name: 2-[allyl(isopropoxy)phosphoryl]oxypropane
IUPAC Name: 2-[propan-2-yloxy(prop-2-enyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 2-[propan-2-yloxy(prop-2-enyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C9H19O3P
MOLECULAR WEIGHT: 206.219121
SMILES: CC(C)OP(=O)(CC=C)OC(C)C
Structure:

CAS RN: 48074-47-1
CAS Name: 2-[1-di(propan-2-yloxy)phosphorylethenyl-propan-2-yloxyphosphoryl]oxypropane
OPENEYE Name: 2-[1-diisopropoxyphosphorylvinyl(isopropoxy)phosphoryl]oxypropane
IUPAC Name: 2-[1-di(propan-2-yloxy)phosphorylethenyl-propan-2-yloxyphosphoryl]oxypropane
SYSTEMATIC NAME: 2-[1-di(propan-2-yloxy)phosphorylethenyl-propan-2-yloxy-phosphoryl]oxypropane
MOLECULAR FORMULA: C14H30O6P2
MOLECULAR WEIGHT: 356.331922
SMILES: CC(C)OP(=O)(C(=C)P(=O)(OC(C)C)OC(C)C)OC(C)C
Structure:

CAS RN: 17997-33-0
CAS Name: 1-[diethoxyphosphoryl(ethoxy)methoxy]ethane
OPENEYE Name: 1-[diethoxyphosphoryl(ethoxy)methoxy]ethane
IUPAC Name: 1-[diethoxyphosphoryl(ethoxy)methoxy]ethane
SYSTEMATIC NAME: 1-[diethoxyphosphoryl(ethoxy)methoxy]ethane
MOLECULAR FORMULA: C9H21O5P
MOLECULAR WEIGHT: 240.233801
SMILES: CCOC(OCC)P(=O)(OCC)OCC
Structure:

CAS RN: 100929-53-1
CAS Name: 2-amino-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: 2-amino-N-[2-[[2-[[1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: 2-amino-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: 2-azanyl-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C26H35N5O6
MOLECULAR WEIGHT: 513.586
SMILES: CC(C(=O)NCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)NCCO)NC(=O)C(CC2=CC=C(C=C2)O)N
Structure:

CAS RN: 57625-35-1
CAS Name: 2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: CCCC1=CC2(C(C(OC2=CC1=O)C3=CC(=C(C=C3)OC)OC)C)OC
Structure:

CAS RN: 25047-48-7
CAS Name: 9-(1,3-benzodioxol-5-yl)-4-[(3-hydroxy-4,5-dimethoxy-2-oxanyl)oxy]-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 9-(1,3-benzodioxol-5-yl)-4-(3-hydroxy-4,5-dimethoxy-tetrahydropyran-2-yl)oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 9-(1,3-benzodioxol-5-yl)-4-(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 9-(1,3-benzodioxol-5-yl)-4-(4,5-dimethoxy-3-oxidanyl-oxan-2-yl)oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C28H28O11
MOLECULAR WEIGHT: 540.51532
SMILES: COC1COC(C(C1OC)O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6
Structure:

CAS RN: 53890-24-7
CAS Name: acetic acid [4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] ester
OPENEYE Name: [4-(1-acetoxyallyl)-2-methoxy-phenyl] acetate
IUPAC Name: [4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-(1-acetyloxyprop-2-enyl)-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: CC(=O)OC1=C(C=C(C=C1)C(C=C)OC(=O)C)OC
Structure:

http://ChemLookup.com Compounds




CAS RN: 40497-79-8
CAS Name: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
OPENEYE Name: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
IUPAC Name: 6-N-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
SYSTEMATIC NAME: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
MOLECULAR FORMULA: C18H14Cl2N6
MOLECULAR WEIGHT: 385.24996
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)NC3=NC(=NC4=C3NC=N4)N)Cl
Structure:

CAS RN: 28128-25-8
CAS Name: 2-bromo-7H-purin-6-amine
OPENEYE Name: 2-bromo-7H-purin-6-amine
IUPAC Name: 2-bromo-7H-purin-6-amine
SYSTEMATIC NAME: 2-bromanyl-7H-purin-6-amine
MOLECULAR FORMULA: C5H4BrN5
MOLECULAR WEIGHT: 214.02276
SMILES: C1=NC2=C(N1)C(=NC(=N2)Br)N
Structure:

CAS RN: 32403-47-7
CAS Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C22H32N4S
MOLECULAR WEIGHT: 384.58128
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:

CAS RN: 549478-39-9
CAS Name: 3-[(3-chloro-1-oxopropyl)amino]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-(3-chloropropanoylamino)thiophene-2-carboxylate
IUPAC Name: methyl 3-(3-chloropropanoylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(3-chloranylpropanoylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C9H10ClNO3S
MOLECULAR WEIGHT: 247.6986
SMILES: COC(=O)C1=C(C=CS1)NC(=O)CCCl
Structure:

CAS RN: 10252-82-1
CAS Name: 4-(4-morpholinylsulfonyl)benzoate
OPENEYE Name: 4-morpholinosulfonylbenzoate
IUPAC Name: 4-morpholin-4-ylsulfonylbenzoate
SYSTEMATIC NAME: 4-morpholin-4-ylsulfonylbenzoate
MOLECULAR FORMULA: C11H12NO5S-
MOLECULAR WEIGHT: 270.28168
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:

CAS RN: 218-34-8
CAS Name: quinolino[8,7-h]quinoline
OPENEYE Name: quinolino[8,7-h]quinoline
IUPAC Name: quinolino[8,7-h]quinoline
SYSTEMATIC NAME: quinolino[8,7-h]quinoline
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC2=C(C3=C(C=C2)C4=C(C=CC=N4)C=C3)N=C1
Structure:

CAS RN: 4919-33-9
CAS Name: 2-(4-ethoxyphenyl)acetate
OPENEYE Name: 2-(4-ethoxyphenyl)acetate
IUPAC Name: 2-(4-ethoxyphenyl)acetate
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)ethanoate
MOLECULAR FORMULA: C10H11O3-
MOLECULAR WEIGHT: 179.19254
SMILES: CCOC1=CC=C(C=C1)CC(=O)[O-]
Structure:

CAS RN: 7763-16-8
CAS Name: 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoate
IUPAC Name: (4-nitrophenyl) 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
SYSTEMATIC NAME: (4-nitrophenyl) 5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate
MOLECULAR FORMULA: C19H19N3O7
MOLECULAR WEIGHT: 401.37006
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 116035-58-6
CAS Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
OPENEYE Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: 3-[(4-bromophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C9H9BrNO4S-
MOLECULAR WEIGHT: 307.14106
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCC(=O)[O-])Br
Structure:

CAS RN: 20054-45-9
CAS Name: 2-mercapto-N-methylbenzamide
OPENEYE Name: N-methyl-2-sulfanyl-benzamide
IUPAC Name: N-methyl-2-sulfanylbenzamide
SYSTEMATIC NAME: N-methyl-2-sulfanyl-benzamide
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: CNC(=O)C1=CC=CC=C1S
Structure:

CAS RN: 58846-77-8
CAS Name: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-decoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H32O6
MOLECULAR WEIGHT: 320.42168
SMILES: CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Structure:

CAS RN: 13927-77-0
CAS Name: N,N-dibutylcarbamodithioate; nickel(2+)
OPENEYE Name: nickelous N,N-dibutylcarbamodithioate
IUPAC Name: N,N-dibutylcarbamodithioate; nickel(2+)
SYSTEMATIC NAME: N,N-dibutylcarbamodithioate; nickel(2+)
MOLECULAR FORMULA: C18H36N2NiS4
MOLECULAR WEIGHT: 467.44524
SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
Structure:

CAS RN: 29947-17-9
CAS Name: 4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzaldehyde
OPENEYE Name: 4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzaldehyde
IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
SYSTEMATIC NAME: 4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
MOLECULAR FORMULA: C11H7NO2S2
MOLECULAR WEIGHT: 249.30878
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)C=O
Structure:

CAS RN: 13083-41-5
CAS Name: 2-(2,3-dihydro-1H-indol-3-yl)acetic acid
OPENEYE Name: 2-indolin-3-ylacetic acid
IUPAC Name: 2-(2,3-dihydro-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1C(C2=CC=CC=C2N1)CC(=O)O
Structure:

CAS RN: 36918-79-3
CAS Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
OPENEYE Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
IUPAC Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
SYSTEMATIC NAME: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
MOLECULAR FORMULA: C9H7N5O3
MOLECULAR WEIGHT: 233.18358
SMILES: C1=CC(=CC=C1C(=O)NC2=NC=NN2)[N+](=O)[O-]
Structure:

CAS RN: 355815-47-3
CAS Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
OPENEYE Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
IUPAC Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
MOLECULAR FORMULA: C15H17FNO+
MOLECULAR WEIGHT: 246.299983
SMILES: COC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)F
Structure:

CAS RN: 70757-64-1
CAS Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
OPENEYE Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetohydrazide
IUPAC Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
SYSTEMATIC NAME: 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanehydrazide
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NN
Structure: