CAS RN: 72717-05-6
CAS Name: 2-[2-(2-furanylmethylthio)ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-[2-(2-furylmethylsulfanyl)ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one
IUPAC Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C18H20N4O2S
MOLECULAR WEIGHT: 356.442
SMILES: CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3
Structure:
CAS RN: 72716-93-9
CAS Name: N-[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
OPENEYE Name: N-[5-[(6-methyl-3-pyridyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
IUPAC Name: N-[5-[(6-methylpyridin-3-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[5-[(6-methylpyridin-3-yl)methyl]-6-oxidanylidene-1H-pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C11H11N5O3
MOLECULAR WEIGHT: 261.23674
SMILES: CC1=NC=C(C=C1)CC2=CN=C(NC2=O)N[N+](=O)[O-]
Structure:
CAS RN: 72716-92-8
CAS Name: 2-formyl-3-(6-methyl-3-pyridinyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-formyl-3-(6-methyl-3-pyridyl)propanoate
IUPAC Name: ethyl 2-formyl-3-(6-methylpyridin-3-yl)propanoate
SYSTEMATIC NAME: ethyl 2-methanoyl-3-(6-methylpyridin-3-yl)propanoate
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CCOC(=O)C(CC1=CN=C(C=C1)C)C=O
Structure:
CAS RN: 72692-98-9
CAS Name: 3-methylpentane-1,2,5-triol
OPENEYE Name: 3-methylpentane-1,2,5-triol
IUPAC Name: 3-methylpentane-1,2,5-triol
SYSTEMATIC NAME: 3-methylpentane-1,2,5-triol
MOLECULAR FORMULA: C6H14O3
MOLECULAR WEIGHT: 134.17356
SMILES: CC(CCO)C(CO)O
Structure:
CAS RN: 72629-94-8
CAS Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosakis(fluoranyl)tridecanoic acid
MOLECULAR FORMULA: C13HF25O2
MOLECULAR WEIGHT: 664.10592
SMILES: C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 72616-77-4
CAS Name: N-[2-(2,5-dichloro-4-nitrophenyl)azo-5-(diethylamino)phenyl]acetamide
OPENEYE Name: N-[2-(2,5-dichloro-4-nitro-phenyl)azo-5-(diethylamino)phenyl]acetamide
IUPAC Name: N-[2-[(2,5-dichloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
SYSTEMATIC NAME: N-[2-[[2,5-bis(chloranyl)-4-nitro-phenyl]diazenyl]-5-(diethylamino)phenyl]ethanamide
MOLECULAR FORMULA: C18H19Cl2N5O3
MOLECULAR WEIGHT: 424.28116
SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl)NC(=O)C
Structure:
CAS RN: 72587-79-2
CAS Name: 1-heptadecyl-2,3-dimethoxybenzene
OPENEYE Name: 1-heptadecyl-2,3-dimethoxy-benzene
IUPAC Name: 1-heptadecyl-2,3-dimethoxybenzene
SYSTEMATIC NAME: 1-heptadecyl-2,3-dimethoxy-benzene
MOLECULAR FORMULA: C25H44O2
MOLECULAR WEIGHT: 376.61566
SMILES: CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)OC
Structure:
CAS RN: 72584-59-9
CAS Name: N4-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride
OPENEYE Name: N4-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride
IUPAC Name: 4-N-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride
SYSTEMATIC NAME: N4-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride
MOLECULAR FORMULA: C9H16Cl2N2O
MOLECULAR WEIGHT: 239.14214
SMILES: COCCNC1=CC=C(C=C1)N.Cl.Cl
Structure:
CAS RN: 72575-86-1
CAS Name: 2-methyl-2-phenoxypropanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-methyl-2-phenoxy-propanoate
IUPAC Name: propan-2-yl 2-methyl-2-phenoxypropanoate
SYSTEMATIC NAME: propan-2-yl 2-methyl-2-phenoxy-propanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=CC=C1
Structure:
CAS RN: 72506-10-6
CAS Name: 2,4-dichloro-1-(3-chloropropyl)benzene
OPENEYE Name: 2,4-dichloro-1-(3-chloropropyl)benzene
IUPAC Name: 2,4-dichloro-1-(3-chloropropyl)benzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-(3-chloranylpropyl)benzene
MOLECULAR FORMULA: C9H9Cl3
MOLECULAR WEIGHT: 223.52676
SMILES: C1=CC(=C(C=C1Cl)Cl)CCCCl
Structure:
CAS RN: 72469-39-7
CAS Name: N-decan-2-yl-2-propenamide
OPENEYE Name: N-(1-methylnonyl)prop-2-enamide
IUPAC Name: N-decan-2-ylprop-2-enamide
SYSTEMATIC NAME: N-decan-2-ylprop-2-enamide
MOLECULAR FORMULA: C13H25NO
MOLECULAR WEIGHT: 211.3437
SMILES: CCCCCCCCC(C)NC(=O)C=C
Structure:
CAS RN: 72460-46-9
CAS Name: 1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
OPENEYE Name: 1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
IUPAC Name: 1-(2-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-chlorophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C10H7ClN2O3
MOLECULAR WEIGHT: 238.62718
SMILES: C1C(=NN(C1=O)C2=CC=CC=C2Cl)C(=O)O
Structure:
CAS RN: 72436-51-2
CAS Name: 2-(phenylmethyl)-1-cyclohexanamine
OPENEYE Name: 2-benzylcyclohexanamine
IUPAC Name: 2-benzylcyclohexan-1-amine
SYSTEMATIC NAME: 2-(phenylmethyl)cyclohexan-1-amine
MOLECULAR FORMULA: C13H19N
MOLECULAR WEIGHT: 189.29666
SMILES: C1CCC(C(C1)CC2=CC=CC=C2)N
Structure:
CAS RN: 72433-38-6
CAS Name: 2-[(4-chlorophenyl)thio]benzonitrile
OPENEYE Name: 2-(4-chlorophenyl)sulfanylbenzonitrile
IUPAC Name: 2-(4-chlorophenyl)sulfanylbenzonitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanylbenzenecarbonitrile
MOLECULAR FORMULA: C13H8ClNS
MOLECULAR WEIGHT: 245.72732
SMILES: C1=CC=C(C(=C1)C#N)SC2=CC=C(C=C2)Cl
Structure:
CAS RN: 72388-18-2
CAS Name: 2-dodecyl-1-hexadecanol
OPENEYE Name: 2-dodecylhexadecan-1-ol
IUPAC Name: 2-dodecylhexadecan-1-ol
SYSTEMATIC NAME: 2-dodecylhexadecan-1-ol
MOLECULAR FORMULA: C28H58O
MOLECULAR WEIGHT: 410.75952
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO
Structure:
CAS RN: 72386-53-9
CAS Name: phosphoric acid tris(3,5,5-trimethylhexyl) ester
OPENEYE Name: tris(3,5,5-trimethylhexyl) phosphate
IUPAC Name: tris(3,5,5-trimethylhexyl) phosphate
SYSTEMATIC NAME: tris(3,5,5-trimethylhexyl) phosphate
MOLECULAR FORMULA: C27H57O4P
MOLECULAR WEIGHT: 476.712841
SMILES: CC(CCOP(=O)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C)CC(C)(C)C
Structure:
CAS RN: 72370-19-5
CAS Name: 5-(2-bromo-1-oxoethyl)-2-phenylmethoxybenzamide
OPENEYE Name: 2-benzyloxy-5-(2-bromoacetyl)benzamide
IUPAC Name: 5-(2-bromoacetyl)-2-phenylmethoxybenzamide
SYSTEMATIC NAME: 5-(2-bromanylethanoyl)-2-phenylmethoxy-benzamide
MOLECULAR FORMULA: C16H14BrNO3
MOLECULAR WEIGHT: 348.19126
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)CBr)C(=O)N
Structure:
CAS RN: 72311-96-7
CAS Name: 2-(ethylthio)-1-propanol
OPENEYE Name: 2-ethylsulfanylpropan-1-ol
IUPAC Name: 2-ethylsulfanylpropan-1-ol
SYSTEMATIC NAME: 2-ethylsulfanylpropan-1-ol
MOLECULAR FORMULA: C5H12OS
MOLECULAR WEIGHT: 120.21318
SMILES: CCSC(C)CO
Structure:
CAS RN: 72278-52-5
CAS Name: 2-methyl-2-phenoxypropanoic acid methyl ester
OPENEYE Name: methyl 2-methyl-2-phenoxy-propanoate
IUPAC Name: methyl 2-methyl-2-phenoxypropanoate
SYSTEMATIC NAME: methyl 2-methyl-2-phenoxy-propanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)(C(=O)OC)OC1=CC=CC=C1
Structure:
CAS RN: 72249-70-8
CAS Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-iodobenzamide
OPENEYE Name: N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-iodo-benzamide
IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-iodobenzamide
SYSTEMATIC NAME: N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-iodanyl-benzamide
MOLECULAR FORMULA: C21H25IN2O4
MOLECULAR WEIGHT: 496.33867
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)I)C(=O)C)O
Structure:
CAS RN: 72246-84-5
CAS Name: 7-butan-2-yl-1-methylnaphthalene
OPENEYE Name: 1-methyl-7-sec-butyl-naphthalene
IUPAC Name: 7-butan-2-yl-1-methylnaphthalene
SYSTEMATIC NAME: 7-butan-2-yl-1-methyl-naphthalene
MOLECULAR FORMULA: C15H18
MOLECULAR WEIGHT: 198.30342
SMILES: CCC(C)C1=CC2=C(C=CC=C2C)C=C1
Structure:
CAS RN: 72245-37-5
CAS Name: N'-(2,2,6,6-tetramethyl-4-piperidinyl)hexane-1,6-diamine
OPENEYE Name: N'-(2,2,6,6-tetramethyl-4-piperidyl)hexane-1,6-diamine
IUPAC Name: N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SYSTEMATIC NAME: N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
MOLECULAR FORMULA: C15H33N3
MOLECULAR WEIGHT: 255.44262
SMILES: CC1(CC(CC(N1)(C)C)NCCCCCCN)C
Structure:
CAS RN: 72241-40-8
CAS Name: 4-nitrobenzoic acid 2-butoxyethyl ester
OPENEYE Name: 2-butoxyethyl 4-nitrobenzoate
IUPAC Name: 2-butoxyethyl 4-nitrobenzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-nitrobenzoate
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 72237-82-2
CAS Name: 6-methoxy-1,4-dimethyl-9H-carbazole-2-carboxaldehyde
OPENEYE Name: 6-methoxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde
IUPAC Name: 6-methoxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde
SYSTEMATIC NAME: 6-methoxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CC1=C2C3=C(C=CC(=C3)OC)NC2=C(C(=C1)C=O)C
Structure:
CAS RN: 72237-78-6
CAS Name: 6-methoxy-1,4-dimethyl-4,9-dihydro-3H-carbazole-2-carboxaldehyde
OPENEYE Name: 6-methoxy-1,4-dimethyl-4,9-dihydro-3H-carbazole-2-carbaldehyde
IUPAC Name: 6-methoxy-1,4-dimethyl-4,9-dihydro-3H-carbazole-2-carbaldehyde
SYSTEMATIC NAME: 6-methoxy-1,4-dimethyl-4,9-dihydro-3H-carbazole-2-carbaldehyde
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC1CC(=C(C2=C1C3=C(N2)C=CC(=C3)OC)C)C=O
Structure:
CAS RN: 72236-20-5
CAS Name: N-ethyl-N-(1-hydroxyethyl)-3-methylbenzamide
OPENEYE Name: N-ethyl-N-(1-hydroxyethyl)-3-methyl-benzamide
IUPAC Name: N-ethyl-N-(1-hydroxyethyl)-3-methylbenzamide
SYSTEMATIC NAME: N-ethyl-N-(1-hydroxyethyl)-3-methyl-benzamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCN(C(C)O)C(=O)C1=CC(=CC=C1)C
Structure:
CAS RN: 72198-15-3
CAS Name: 2-(3-chloro-4-hydroxyphenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(3-chloro-4-hydroxy-phenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(3-chloranyl-4-oxidanyl-phenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H7ClO4
MOLECULAR WEIGHT: 202.59178
SMILES: C1=CC(=C(C=C1C(C(=O)O)O)Cl)O
Structure:
CAS RN: 72143-21-6
CAS Name: 3-phenylpropanoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl 3-phenylpropanoate
IUPAC Name: 2-hydroxyethyl 3-phenylpropanoate
SYSTEMATIC NAME: 2-hydroxyethyl 3-phenylpropanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C1=CC=C(C=C1)CCC(=O)OCCO
Structure:
CAS RN: 72135-46-7
CAS Name: [1-(1-cyclohexenylmethyl)-2-pyrrolidinyl]methanamine
OPENEYE Name: [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
IUPAC Name: [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
SYSTEMATIC NAME: [1-(cyclohexen-1-ylmethyl)pyrrolidin-2-yl]methanamine
MOLECULAR FORMULA: C12H22N2
MOLECULAR WEIGHT: 194.31648
SMILES: C1CCC(=CC1)CN2CCCC2CN
Structure:
CAS RN: 72064-62-1
CAS Name: 3-methylbutanoic acid (methylthio)methyl ester
OPENEYE Name: methylsulfanylmethyl 3-methylbutanoate
IUPAC Name: methylsulfanylmethyl 3-methylbutanoate
SYSTEMATIC NAME: methylsulfanylmethyl 3-methylbutanoate
MOLECULAR FORMULA: C7H14O2S
MOLECULAR WEIGHT: 162.24986
SMILES: CC(C)CC(=O)OCSC
Structure:
CAS RN: 72010-74-3
CAS Name: 4-[3-(diethylamino)anilino]-4-oxobutanoic acid methyl ester
OPENEYE Name: methyl 4-[3-(diethylamino)anilino]-4-oxo-butanoate
IUPAC Name: methyl 4-[3-(diethylamino)anilino]-4-oxobutanoate
SYSTEMATIC NAME: methyl 4-[[3-(diethylamino)phenyl]amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CCN(CC)C1=CC=CC(=C1)NC(=O)CCC(=O)OC
Structure:
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