Thursday, August 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(2,3,4-trimethylphenyl)methyl]pyrimidin-2-amine
CAS Name: N-[(2,3,4-trimethylphenyl)methyl]-2-pyrimidinamine
IUPAC NAME: N-[(2,3,4-trimethylphenyl)methyl]pyrimidin-2-amine
SYSTEMATIC NAME: N-[(2,3,4-trimethylphenyl)methyl]pyrimidin-2-amine
MOLECULAR FORMULA: C14H17N3
MOLECULAR WEIGHT: 227.30488
SMILES: CC1=C(C(=C(C=C1)CNC2=NC=CC=N2)C)C
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Product OPENEYE NAME: N-[2-(6-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)oxyethyl]-6-chloro-5-methyl-pyrimidin-4-amine
CAS Name: N-[2-[(6-butyl-6-methyl-1-cyclohexa-2,4-dienyl)oxy]ethyl]-6-chloro-5-methyl-4-pyrimidinamine
IUPAC NAME: N-[2-(6-butyl-6-methylcyclohexa-2,4-dien-1-yl)oxyethyl]-6-chloro-5-methylpyrimidin-4-amine
SYSTEMATIC NAME: N-[2-(6-butyl-6-methyl-cyclohexa-2,4-dien-1-yl)oxyethyl]-6-chloranyl-5-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C18H26ClN3O
MOLECULAR WEIGHT: 335.87154
SMILES: CCCCC1(C=CC=CC1OCCNC2=C(C(=NC=N2)Cl)C)C
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Product OPENEYE NAME: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine nitrate
CAS Name: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-4-pyrimidinamine nitrate
IUPAC NAME: 5-chloro-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]pyrimidin-4-amine nitrate
SYSTEMATIC NAME: 5-chloranyl-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine nitrate
MOLECULAR FORMULA: C19H26ClN4O4-
MOLECULAR WEIGHT: 409.88714
SMILES: CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)C.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: ethyl 2-(2-sulfanylphenyl)acetate
CAS Name: 2-(2-mercaptophenyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(2-sulfanylphenyl)acetate
SYSTEMATIC NAME: ethyl 2-(2-sulfanylphenyl)ethanoate
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CCOC(=O)CC1=CC=CC=C1S
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Product OPENEYE NAME: N-[2-(4-butyl-2-methyl-phenoxy)ethyl]-5-chloro-6-methyl-pyrimidin-4-amine nitrate
CAS Name: N-[2-(4-butyl-2-methylphenoxy)ethyl]-5-chloro-6-methyl-4-pyrimidinamine nitrate
IUPAC NAME: N-[2-(4-butyl-2-methylphenoxy)ethyl]-5-chloro-6-methylpyrimidin-4-amine nitrate
SYSTEMATIC NAME: N-[2-(4-butyl-2-methyl-phenoxy)ethyl]-5-chloranyl-6-methyl-pyrimidin-4-amine nitrate
MOLECULAR FORMULA: C18H24ClN4O4-
MOLECULAR WEIGHT: 395.86056
SMILES: CCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)C.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: (2,4-dichlorophenoxy)-hydroxy-propylsulfanyl-thioxo-$l^{5}-phosphane
CAS Name: (2,4-dichlorophenoxy)-hydroxy-(propylthio)-sulfanylidenephosphorane
IUPAC NAME: (2,4-dichlorophenoxy)-hydroxy-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [2,4-bis(chloranyl)phenoxy]-oxidanyl-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H11Cl2O2PS2
MOLECULAR WEIGHT: 317.192201
SMILES: CCCSP(=S)(O)OC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 5-bromo-6-methyl-N-[2-(2-methyl-4-propyl-phenoxy)propyl]pyrimidin-4-amine
CAS Name: 5-bromo-6-methyl-N-[2-(2-methyl-4-propylphenoxy)propyl]-4-pyrimidinamine
IUPAC NAME: 5-bromo-6-methyl-N-[2-(2-methyl-4-propylphenoxy)propyl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-bromanyl-6-methyl-N-[2-(2-methyl-4-propyl-phenoxy)propyl]pyrimidin-4-amine
MOLECULAR FORMULA: C18H24BrN3O
MOLECULAR WEIGHT: 378.30666
SMILES: CCCC1=CC(=C(C=C1)OC(C)CNC2=NC=NC(=C2Br)C)C
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Product OPENEYE NAME: 1-(2-hydroxyphenyl)-6-methyl-heptan-1-one
CAS Name: 1-(2-hydroxyphenyl)-6-methyl-1-heptanone
IUPAC NAME: 1-(2-hydroxyphenyl)-6-methylheptan-1-one
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)-6-methyl-heptan-1-one
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC(C)CCCCC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 5-bromo-N-[2-(4-butyl-2-methyl-phenoxy)-1-methyl-ethyl]-6-methyl-pyrimidin-4-amine
CAS Name: 5-bromo-N-[1-(4-butyl-2-methylphenoxy)propan-2-yl]-6-methyl-4-pyrimidinamine
IUPAC NAME: 5-bromo-N-[1-(4-butyl-2-methylphenoxy)propan-2-yl]-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-bromanyl-N-[1-(4-butyl-2-methyl-phenoxy)propan-2-yl]-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C19H26BrN3O
MOLECULAR WEIGHT: 392.33324
SMILES: CCCCC1=CC(=C(C=C1)OCC(C)NC2=NC=NC(=C2Br)C)C
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Product OPENEYE NAME: N-methyl-2-(2-methyl-4-propyl-phenoxy)ethanamine
CAS Name: N-methyl-2-(2-methyl-4-propylphenoxy)ethanamine
IUPAC NAME: N-methyl-2-(2-methyl-4-propylphenoxy)ethanamine
SYSTEMATIC NAME: N-methyl-2-(2-methyl-4-propyl-phenoxy)ethanamine
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: CCCC1=CC(=C(C=C1)OCCNC)C
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Product OPENEYE NAME: 5-chloro-6-methyl-N-[2-(2,3,4,5-tetrachlorophenoxy)ethyl]pyrimidin-4-amine
CAS Name: 5-chloro-6-methyl-N-[2-(2,3,4,5-tetrachlorophenoxy)ethyl]-4-pyrimidinamine
IUPAC NAME: 5-chloro-6-methyl-N-[2-(2,3,4,5-tetrachlorophenoxy)ethyl]pyrimidin-4-amine
SYSTEMATIC NAME: 5-chloranyl-6-methyl-N-[2-[2,3,4,5-tetrakis(chloranyl)phenoxy]ethyl]pyrimidin-4-amine
MOLECULAR FORMULA: C13H10Cl5N3O
MOLECULAR WEIGHT: 401.503
SMILES: CC1=C(C(=NC=N1)NCCOC2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N-[2-(4-butyl-2-methyl-phenoxy)-1-methyl-ethyl]-5-chloro-6-methyl-pyrimidin-4-amine
CAS Name: N-[1-(4-butyl-2-methylphenoxy)propan-2-yl]-5-chloro-6-methyl-4-pyrimidinamine
IUPAC NAME: N-[1-(4-butyl-2-methylphenoxy)propan-2-yl]-5-chloro-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: N-[1-(4-butyl-2-methyl-phenoxy)propan-2-yl]-5-chloranyl-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C19H26ClN3O
MOLECULAR WEIGHT: 347.88224
SMILES: CCCCC1=CC(=C(C=C1)OCC(C)NC2=NC=NC(=C2Cl)C)C
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Product OPENEYE NAME: N-[(hydroxyamino)methylene]-9H-pyrido[3,4-b]indole-3-carboxamide
CAS Name: N-[(hydroxyamino)methylidene]-9H-pyrido[3,4-b]indole-3-carboxamide
IUPAC NAME: N-[(hydroxyamino)methylidene]-9H-pyrido[3,4-b]indole-3-carboxamide
SYSTEMATIC NAME: N-[(oxidanylamino)methylidene]-9H-pyrido[3,4-b]indole-3-carboxamide
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)N=CNO
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Product OPENEYE NAME: N-(2-methoxyethyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)pentanamide
CAS Name: N-(2-methoxyethyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)pentanamide
IUPAC NAME: N-(2-methoxyethyl)-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)pentanamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-5-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)pentanamide
MOLECULAR FORMULA: C25H32N2O4
MOLECULAR WEIGHT: 424.53258
SMILES: COCCN(CCC1=CC=CC=C1)C(=O)CCCCOC2=CC3=C(C=C2)NC(=O)CC3
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Product OPENEYE NAME: N-(2-furyl)-N-hexyl-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]butanamide
CAS Name: N-(2-furanyl)-N-hexyl-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]butanamide
IUPAC NAME: N-(furan-2-yl)-N-hexyl-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]butanamide
SYSTEMATIC NAME: N-(furan-2-yl)-N-hexyl-3-methyl-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-8-yl)oxy]butanamide
MOLECULAR FORMULA: C24H32N2O4
MOLECULAR WEIGHT: 412.52188
SMILES: CCCCCCN(C1=CC=CO1)C(=O)C(C(C)C)OC2=CC=CC3=C2NC(=O)CC3
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Product OPENEYE NAME: 2-[5-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)oxy]pentanoyl-cyclohexyl-amino]ethyl acetate
CAS Name: acetic acid 2-[cyclohexyl-[1-oxo-5-[[2-oxo-1-(phenylmethyl)-3,4-dihydroquinolin-6-yl]oxy]pentyl]amino]ethyl ester
IUPAC NAME: 2-[5-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)oxy]pentanoyl-cyclohexylamino]ethyl acetate
SYSTEMATIC NAME: 2-[cyclohexyl-[5-[[2-oxidanylidene-1-(phenylmethyl)-3,4-dihydroquinolin-6-yl]oxy]pentanoyl]amino]ethyl ethanoate
MOLECULAR FORMULA: C31H40N2O5
MOLECULAR WEIGHT: 520.6597
SMILES: CC(=O)OCCN(C1CCCCC1)C(=O)CCCCOC2=CC3=C(C=C2)N(C(=O)CC3)CC4=CC=CC=C4
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