Product OPENEYE NAME: N'-(1-naphthyl)ethane-1,2-diamine
CAS Name: N'-(1-naphthalenyl)ethane-1,2-diamine
IUPAC NAME: N'-naphthalen-1-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-naphthalen-1-ylethane-1,2-diamine
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: C1=CC=C2C(=C1)C=CC=C2NCCN
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Product OPENEYE NAME: [2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxy-ethyl]ammonium chloride
CAS Name: [2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]ammonium chloride
IUPAC NAME: [2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
SYSTEMATIC NAME: [3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride
MOLECULAR FORMULA: C13H19Cl3N2O2
MOLECULAR WEIGHT: 341.66116
SMILES: C1=CC(=CC=C1CC(C(=O)O)[NH3+])N(CCCl)CCCl.[Cl-]
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Product OPENEYE NAME: 2,6-dimethoxybenzoic acid
CAS Name: 2,6-dimethoxybenzoic acid
IUPAC NAME: 2,6-dimethoxybenzoic acid
SYSTEMATIC NAME: 2,6-dimethoxybenzoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=C(C(=CC=C1)OC)C(=O)O
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Product OPENEYE NAME: (2-acetoxybenzoyl) 2-acetoxybenzoate
CAS Name: 2-acetyloxybenzoic acid [(2-acetyloxyphenyl)-oxomethyl] ester
IUPAC NAME: (2-acetyloxybenzoyl) 2-acetyloxybenzoate
SYSTEMATIC NAME: (2-acetyloxyphenyl)carbonyl 2-acetyloxybenzoate
MOLECULAR FORMULA: C18H14O7
MOLECULAR WEIGHT: 342.29956
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C
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Product OPENEYE NAME: 6-phenoxy-1,3,5-triazine-2,4-diamine
CAS Name: 6-phenoxy-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-phenoxy-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-phenoxy-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H9N5O
MOLECULAR WEIGHT: 203.20066
SMILES: C1=CC=C(C=C1)OC2=NC(=NC(=N2)N)N
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Product OPENEYE NAME: dimethylcyanamide
CAS Name: dimethylcyanamide
IUPAC NAME: dimethylcyanamide
SYSTEMATIC NAME: dimethylcyanamide
MOLECULAR FORMULA: C3H6N2
MOLECULAR WEIGHT: 70.09314
SMILES: CN(C)C#N
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Product OPENEYE NAME: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione
CAS Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione
IUPAC NAME: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C4H3N5O2
MOLECULAR WEIGHT: 153.09892
SMILES: C12=NNNC1=NC(=O)NC2=O
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Product OPENEYE NAME: morpholino(phenyl)methanone
CAS Name: 4-morpholinyl(phenyl)methanone
IUPAC NAME: morpholin-4-yl(phenyl)methanone
SYSTEMATIC NAME: morpholin-4-yl(phenyl)methanone
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1COCCN1C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: O-methyl (methoxycarbothioyldisulfanyl)methanethioate
CAS Name: [[methoxy(sulfanylidene)methyl]disulfanyl]methanethioic acid O-methyl ester
IUPAC NAME: O-methyl (methoxycarbothioyldisulfanyl)methanethioate
SYSTEMATIC NAME: O-methyl (methoxycarbothioyldisulfanyl)methanethioate
MOLECULAR FORMULA: C4H6O2S4
MOLECULAR WEIGHT: 214.34924
SMILES: COC(=S)SSC(=S)OC
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Product OPENEYE NAME: 1-(3-thienyl)ethanone
CAS Name: 1-(3-thiophenyl)ethanone
IUPAC NAME: 1-thiophen-3-ylethanone
SYSTEMATIC NAME: 1-thiophen-3-ylethanone
MOLECULAR FORMULA: C6H6OS
MOLECULAR WEIGHT: 126.17624
SMILES: CC(=O)C1=CSC=C1
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Product OPENEYE NAME: 4-methyl-1,3,2-dioxathiolane 2-oxide
CAS Name: 4-methyl-1,3,2-dioxathiolane 2-oxide
IUPAC NAME: 4-methyl-1,3,2-dioxathiolane 2-oxide
SYSTEMATIC NAME: 4-methyl-1,3,2-dioxathiolane 2-oxide
MOLECULAR FORMULA: C3H6O3S
MOLECULAR WEIGHT: 122.14294
SMILES: CC1COS(=O)O1
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Product OPENEYE NAME: indan-5-ol
CAS Name: 2,3-dihydro-1H-inden-5-ol
IUPAC NAME: 2,3-dihydro-1H-inden-5-ol
SYSTEMATIC NAME: 2,3-dihydro-1H-inden-5-ol
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: C1CC2=C(C1)C=C(C=C2)O
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Product OPENEYE NAME: 1-allyloxypropane
CAS Name: 1-prop-2-enoxypropane
IUPAC NAME: 1-prop-2-enoxypropane
SYSTEMATIC NAME: 1-prop-2-enoxypropane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCCOCC=C
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Product OPENEYE NAME: dimethyl tridecanedioate
CAS Name: tridecanedioic acid dimethyl ester
IUPAC NAME: dimethyl tridecanedioate
SYSTEMATIC NAME: dimethyl tridecanedioate
MOLECULAR FORMULA: C15H28O4
MOLECULAR WEIGHT: 272.38042
SMILES: COC(=O)CCCCCCCCCCCC(=O)OC
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Product OPENEYE NAME: (16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
CAS Name: (16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
IUPAC NAME: (16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
SYSTEMATIC NAME: (16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CC12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: 1,4-dichlorobut-2-ene
CAS Name: 1,4-dichloro-2-butene
IUPAC NAME: 1,4-dichlorobut-2-ene
SYSTEMATIC NAME: 1,4-bis(chloranyl)but-2-ene
MOLECULAR FORMULA: C4H6Cl2
MOLECULAR WEIGHT: 124.99644
SMILES: C(C=CCCl)Cl
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Product OPENEYE NAME: 3-isocyanatoprop-1-ene
CAS Name: 3-isocyanato-1-propene
IUPAC NAME: 3-isocyanatoprop-1-ene
SYSTEMATIC NAME: 3-isocyanatoprop-1-ene
MOLECULAR FORMULA: C4H5NO
MOLECULAR WEIGHT: 83.0886
SMILES: C=CCN=C=O
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Product OPENEYE NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-6-ol
CAS Name: 3-[2-(dimethylamino)ethyl]-1H-indol-6-ol
IUPAC NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-6-ol
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-6-ol
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CN(C)CCC1=CNC2=C1C=CC(=C2)O
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Product OPENEYE NAME: magnesium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate
CAS Name: magnesium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
IUPAC NAME: magnesium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: magnesium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H14MgN5O13P3
MOLECULAR WEIGHT: 529.470143
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.[Mg+2]
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Product OPENEYE NAME: 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-ethyl-amino]methyl]phenyl]methyl]-N-ethyl-acetamide
CAS Name: 2,2-dichloro-N-[[4-[[(2,2-dichloro-1-oxoethyl)-ethylamino]methyl]phenyl]methyl]-N-ethylacetamide
IUPAC NAME: 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-ethylamino]methyl]phenyl]methyl]-N-ethylacetamide
SYSTEMATIC NAME: N-[[4-[[2,2-bis(chloranyl)ethanoyl-ethyl-amino]methyl]phenyl]methyl]-2,2-bis(chloranyl)-N-ethyl-ethanamide
MOLECULAR FORMULA: C16H20Cl4N2O2
MOLECULAR WEIGHT: 414.1542
SMILES: CCN(CC1=CC=C(C=C1)CN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
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Product OPENEYE NAME: [1-ethyl-4-(methylamino)-2,2-diphenyl-pentyl] acetate
CAS Name: acetic acid [6-(methylamino)-4,4-diphenylheptan-3-yl] ester
IUPAC NAME: [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate
SYSTEMATIC NAME: [6-(methylamino)-4,4-diphenyl-heptan-3-yl] ethanoate
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
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Product OPENEYE NAME: [(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenyl-pentyl] acetate
CAS Name: acetic acid [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] ester
IUPAC NAME: [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
SYSTEMATIC NAME: [(3S,6S)-6-(dimethylamino)-4,4-diphenyl-heptan-3-yl] ethanoate
MOLECULAR FORMULA: C23H31NO2
MOLECULAR WEIGHT: 353.49774
SMILES: CC[C@@H](C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
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