Sunday, April 29, 2012

http://ChemLookup.com Compounds




CAS RN: 13012-26-5
CAS Name: 4-chloro-6-methoxy-N,N-dimethyl-2-pyrimidinamine
OPENEYE Name: 4-chloro-6-methoxy-N,N-dimethyl-pyrimidin-2-amine
IUPAC Name: 4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine
SYSTEMATIC NAME: 4-chloranyl-6-methoxy-N,N-dimethyl-pyrimidin-2-amine
MOLECULAR FORMULA: C7H10ClN3O
MOLECULAR WEIGHT: 187.6268
SMILES: CN(C)C1=NC(=CC(=N1)Cl)OC
Structure:

CAS RN: 40359-30-6
CAS Name: 2-(2-formyl-6-methoxyphenoxy)acetic acid
OPENEYE Name: 2-(2-formyl-6-methoxy-phenoxy)acetic acid
IUPAC Name: 2-(2-formyl-6-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-methanoyl-6-methoxy-phenoxy)ethanoic acid
MOLECULAR FORMULA: C10H10O5
MOLECULAR WEIGHT: 210.1834
SMILES: COC1=CC=CC(=C1OCC(=O)O)C=O
Structure:

CAS RN: 32046-51-8
CAS Name: 2-methyl-5-nitro-1,3-benzoxazole
OPENEYE Name: 2-methyl-5-nitro-1,3-benzoxazole
IUPAC Name: 2-methyl-5-nitro-1,3-benzoxazole
SYSTEMATIC NAME: 2-methyl-5-nitro-1,3-benzoxazole
MOLECULAR FORMULA: C8H6N2O3
MOLECULAR WEIGHT: 178.14484
SMILES: CC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]
Structure:

CAS RN: 28942-54-3
CAS Name: 2-amino-5-ethyl-4-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-ethyl-thiazole-4-carboxylate
IUPAC Name: methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-ethyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: CCC1=C(N=C(S1)N)C(=O)OC
Structure:

CAS RN: 81569-25-7
CAS Name: 2-amino-5-propan-2-yl-4-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-isopropyl-thiazole-4-carboxylate
IUPAC Name: methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C8H12N2O2S
MOLECULAR WEIGHT: 200.25808
SMILES: CC(C)C1=C(N=C(S1)N)C(=O)OC
Structure:

CAS RN: 385374-16-3
CAS Name: 1-(4-hydroxyphenyl)-2,6-dimethyl-4-pyridinone
OPENEYE Name: 1-(4-hydroxyphenyl)-2,6-dimethyl-pyridin-4-one
IUPAC Name: 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-2,6-dimethyl-pyridin-4-one
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC1=CC(=O)C=C(N1C2=CC=C(C=C2)O)C
Structure:

CAS RN: 2405-01-8
CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)aniline
OPENEYE Name: 2-(2,5-dimethylpyrrol-1-yl)aniline
IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)aniline
SYSTEMATIC NAME: 2-(2,5-dimethylpyrrol-1-yl)aniline
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CC1=CC=C(N1C2=CC=CC=C2N)C
Structure:

CAS RN: 63034-98-0
CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
OPENEYE Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-acetamide
IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
SYSTEMATIC NAME: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-cyano-ethanamide
MOLECULAR FORMULA: C10H6ClF3N2O
MOLECULAR WEIGHT: 262.61565
SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)CC#N)Cl
Structure:

CAS RN: 321432-05-7
CAS Name: 4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde
OPENEYE Name: 4-[(4-fluorophenyl)methoxy]-3-methoxy-benzaldehyde
IUPAC Name: 4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde
SYSTEMATIC NAME: 4-[(4-fluorophenyl)methoxy]-3-methoxy-benzaldehyde
MOLECULAR FORMULA: C15H13FO3
MOLECULAR WEIGHT: 260.260323
SMILES: COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)F
Structure:

CAS RN: 108132-57-6
CAS Name: (3,5-dimethyl-1-pyrazolyl)-(3,4,5-trimethoxyphenyl)methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
MOLECULAR FORMULA: C15H18N2O4
MOLECULAR WEIGHT: 290.31442
SMILES: CC1=CC(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
Structure:

CAS RN: 3698-47-3
CAS Name: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CN(C)/C=C(/C#N)\C1=CC=C(C=C1)OC
Structure:

CAS RN: 3698-40-6
CAS Name: (Z)-3-(dimethylamino)-2-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CN(C)/C=C(\C#N)/C1=CC=C(C=C1)OC
Structure:

CAS RN: 63035-00-7
CAS Name: 2-cyano-N-(3,5-dichlorophenyl)acetamide
OPENEYE Name: 2-cyano-N-(3,5-dichlorophenyl)acetamide
IUPAC Name: 2-cyano-N-(3,5-dichlorophenyl)acetamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-2-cyano-ethanamide
MOLECULAR FORMULA: C9H6Cl2N2O
MOLECULAR WEIGHT: 229.06274
SMILES: C1=C(C=C(C=C1Cl)Cl)NC(=O)CC#N
Structure:

CAS RN: 206559-51-5
CAS Name: 1-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: 1-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
IUPAC Name: 1-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-chloranyl-5-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H7ClF3N3S
MOLECULAR WEIGHT: 269.67449
SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=S)NN)Cl
Structure:

CAS RN: 20069-30-1
CAS Name: 1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: 1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
IUPAC Name: 1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H8F3N3S
MOLECULAR WEIGHT: 235.22943
SMILES: C1=CC(=CC(=C1)NC(=S)NN)C(F)(F)F
Structure:

CAS RN: 149833-95-4
CAS Name: 4-[(4-bromophenyl)methoxy]benzaldehyde
OPENEYE Name: 4-[(4-bromophenyl)methoxy]benzaldehyde
IUPAC Name: 4-[(4-bromophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 4-[(4-bromophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H11BrO2
MOLECULAR WEIGHT: 291.13994
SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)Br
Structure:

CAS RN: 36052-24-1
CAS Name: 6-amino-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-aminopyridine-3-carboxylate
IUPAC Name: methyl 6-aminopyridine-3-carboxylate
SYSTEMATIC NAME: methyl 6-azanylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: COC(=O)C1=CN=C(C=C1)N
Structure:

CAS RN: 14442-12-7
CAS Name: 3-phenyl-5-isoxazolecarboxylic acid
OPENEYE Name: 3-phenylisoxazole-5-carboxylic acid
IUPAC Name: 3-phenyl-1,2-oxazole-5-carboxylic acid
SYSTEMATIC NAME: 3-phenyl-1,2-oxazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Structure:

CAS RN: 76041-74-2
CAS Name: 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
OPENEYE Name: 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
IUPAC Name: 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)-1H-pyridine-2-thione
MOLECULAR FORMULA: C6H3ClF3NS
MOLECULAR WEIGHT: 213.60793
SMILES: C1=C(C(=S)NC=C1C(F)(F)F)Cl
Structure:

CAS RN: 52833-94-0
CAS Name: 2-amino-5-bromo-3-pyridinecarboxylic acid
OPENEYE Name: 2-amino-5-bromo-pyridine-3-carboxylic acid
IUPAC Name: 2-amino-5-bromopyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-5-bromanyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: C1=C(C(=NC=C1Br)N)C(=O)O
Structure:

CAS RN: 175278-09-8
CAS Name: 4-bromo-2-(trifluoromethoxy)aniline
OPENEYE Name: 4-bromo-2-(trifluoromethoxy)aniline
IUPAC Name: 4-bromo-2-(trifluoromethoxy)aniline
SYSTEMATIC NAME: 4-bromanyl-2-(trifluoromethyloxy)aniline
MOLECULAR FORMULA: C7H5BrF3NO
MOLECULAR WEIGHT: 256.01991
SMILES: C1=CC(=C(C=C1Br)OC(F)(F)F)N
Structure:

CAS RN: 621-83-0
CAS Name: (phenylmethyl)thiourea
OPENEYE Name: benzylthiourea
IUPAC Name: benzylthiourea
SYSTEMATIC NAME: 1-(phenylmethyl)thiourea
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: C1=CC=C(C=C1)CNC(=S)N
Structure:

CAS RN: 7204-48-0
CAS Name: tert-butylthiourea
OPENEYE Name: tert-butylthiourea
IUPAC Name: tert-butylthiourea
SYSTEMATIC NAME: 1-tert-butylthiourea
MOLECULAR FORMULA: C5H12N2S
MOLECULAR WEIGHT: 132.22718
SMILES: CC(C)(C)NC(=S)N
Structure:

CAS RN: 22236-10-8
CAS Name: 4-(difluoromethoxy)aniline
OPENEYE Name: 4-(difluoromethoxy)aniline
IUPAC Name: 4-(difluoromethoxy)aniline
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]aniline
MOLECULAR FORMULA: C7H7F2NO
MOLECULAR WEIGHT: 159.133386
SMILES: C1=CC(=CC=C1N)OC(F)F
Structure:

CAS RN: 4837-20-1
CAS Name: 4-(difluoromethoxy)benzoic acid
OPENEYE Name: 4-(difluoromethoxy)benzoic acid
IUPAC Name: 4-(difluoromethoxy)benzoic acid
SYSTEMATIC NAME: 4-[bis(fluoranyl)methoxy]benzoic acid
MOLECULAR FORMULA: C8H6F2O3
MOLECULAR WEIGHT: 188.128246
SMILES: C1=CC(=CC=C1C(=O)O)OC(F)F
Structure:

CAS RN: 4426-79-3
CAS Name: (2S)-2-isothiocyanatobutane
OPENEYE Name: (2S)-2-isothiocyanatobutane
IUPAC Name: (2S)-2-isothiocyanatobutane
SYSTEMATIC NAME: (2S)-2-isothiocyanatobutane
MOLECULAR FORMULA: C5H9NS
MOLECULAR WEIGHT: 115.19666
SMILES: CC[C@H](C)N=C=S
Structure:

CAS RN: 83882-67-1
CAS Name: 1-[4-(difluoromethoxy)phenyl]ethanone
OPENEYE Name: 1-[4-(difluoromethoxy)phenyl]ethanone
IUPAC Name: 1-[4-(difluoromethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[bis(fluoranyl)methoxy]phenyl]ethanone
MOLECULAR FORMULA: C9H8F2O2
MOLECULAR WEIGHT: 186.155426
SMILES: CC(=O)C1=CC=C(C=C1)OC(F)F
Structure:

CAS RN: 41419-59-4
CAS Name: N-methyl-4-(trifluoromethoxy)aniline
OPENEYE Name: N-methyl-4-(trifluoromethoxy)aniline
IUPAC Name: N-methyl-4-(trifluoromethoxy)aniline
SYSTEMATIC NAME: N-methyl-4-(trifluoromethyloxy)aniline
MOLECULAR FORMULA: C8H8F3NO
MOLECULAR WEIGHT: 191.15043
SMILES: CNC1=CC=C(C=C1)OC(F)(F)F
Structure:

CAS RN: 3792-04-9
CAS Name: 2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H7ClF3NO
MOLECULAR WEIGHT: 237.60619
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCl
Structure:

CAS RN: 38985-72-7
CAS Name: 1-amino-3-(2-fluorophenyl)thiourea
OPENEYE Name: 1-amino-3-(2-fluorophenyl)thiourea
IUPAC Name: 1-amino-3-(2-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2-fluorophenyl)thiourea
MOLECULAR FORMULA: C7H8FN3S
MOLECULAR WEIGHT: 185.221923
SMILES: C1=CC=C(C(=C1)NC(=S)NN)F
Structure:

CAS RN: 16153-81-4
CAS Name: 4-(4-methyl-1-piperazinyl)aniline
OPENEYE Name: 4-(4-methylpiperazin-1-yl)aniline
IUPAC Name: 4-(4-methylpiperazin-1-yl)aniline
SYSTEMATIC NAME: 4-(4-methylpiperazin-1-yl)aniline
MOLECULAR FORMULA: C11H17N3
MOLECULAR WEIGHT: 191.27278
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)N
Structure:

CAS RN: 2548-79-0
CAS Name: 3-chlorobenzenecarbothioamide
OPENEYE Name: 3-chlorobenzenecarbothioamide
IUPAC Name: 3-chlorobenzenecarbothioamide
SYSTEMATIC NAME: 3-chloranylbenzenecarbothioamide
MOLECULAR FORMULA: C7H6ClNS
MOLECULAR WEIGHT: 171.64724
SMILES: C1=CC(=CC(=C1)Cl)C(=S)N
Structure:

CAS RN: 20300-02-1
CAS Name: 2-thiophenecarbothioamide
OPENEYE Name: thiophene-2-carbothioamide
IUPAC Name: thiophene-2-carbothioamide
SYSTEMATIC NAME: thiophene-2-carbothioamide
MOLECULAR FORMULA: C5H5NS2
MOLECULAR WEIGHT: 143.2299
SMILES: C1=CSC(=C1)C(=S)N
Structure:

CAS RN: 26033-27-2
CAS Name: 5-thiophen-2-yl-1H-pyrazole-4-carboxaldehyde
OPENEYE Name: 5-(2-thienyl)-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
SYSTEMATIC NAME: 5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C8H6N2OS
MOLECULAR WEIGHT: 178.21104
SMILES: C1=CSC(=C1)C2=C(C=NN2)C=O
Structure:

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