Product OPENEYE NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine
CAS Name: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-propanamine
IUPAC NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine
SYSTEMATIC NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine
MOLECULAR FORMULA: C13H27N3
MOLECULAR WEIGHT: 225.37358
SMILES: CN1C2CCCC1CN(C2)CCCN(C)C
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Product OPENEYE NAME: thiochroman-4-one
CAS Name: 2,3-dihydro-1-benzothiopyran-4-one
IUPAC NAME: 2,3-dihydrothiochromen-4-one
SYSTEMATIC NAME: 2,3-dihydrothiochromen-4-one
MOLECULAR FORMULA: C9H8OS
MOLECULAR WEIGHT: 164.22422
SMILES: C1CSC2=CC=CC=C2C1=O
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Product OPENEYE NAME: 3-(1-piperidyl)propan-1-amine
CAS Name: 3-(1-piperidinyl)-1-propanamine
IUPAC NAME: 3-piperidin-1-ylpropan-1-amine
SYSTEMATIC NAME: 3-piperidin-1-ylpropan-1-amine
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: C1CCN(CC1)CCCN
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Product OPENEYE NAME: 1-isothiocyanato-3-nitro-benzene
CAS Name: 1-isothiocyanato-3-nitrobenzene
IUPAC NAME: 1-isothiocyanato-3-nitrobenzene
SYSTEMATIC NAME: 1-isothiocyanato-3-nitro-benzene
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N=C=S
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Product OPENEYE NAME: N-methylacetohydrazide
CAS Name: N-methylacetohydrazide
IUPAC NAME: N-methylacetohydrazide
SYSTEMATIC NAME: N-methylethanehydrazide
MOLECULAR FORMULA: C3H8N2O
MOLECULAR WEIGHT: 88.10842
SMILES: CC(=O)N(C)N
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Product OPENEYE NAME: 2-chloro-4,6-dinitro-aniline
CAS Name: 2-chloro-4,6-dinitroaniline
IUPAC NAME: 2-chloro-4,6-dinitroaniline
SYSTEMATIC NAME: 2-chloranyl-4,6-dinitro-aniline
MOLECULAR FORMULA: C6H4ClN3O4
MOLECULAR WEIGHT: 217.56666
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: tetraisobutylstannane
CAS Name: tetrakis(2-methylpropyl)stannane
IUPAC NAME: tetrakis(2-methylpropyl)stannane
SYSTEMATIC NAME: tetrakis(2-methylpropyl)stannane
MOLECULAR FORMULA: C16H36Sn
MOLECULAR WEIGHT: 347.16704
SMILES: CC(C)C[Sn](CC(C)C)(CC(C)C)CC(C)C
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Product OPENEYE NAME: 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
CAS Name: 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
IUPAC NAME: 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
SYSTEMATIC NAME: 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=CC=CC2=C1OCN(C2)C
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Product OPENEYE NAME: 1-hydroxypyridin-4-imine
CAS Name: 1-hydroxy-4-pyridinimine
IUPAC NAME: 1-hydroxypyridin-4-imine
SYSTEMATIC NAME: 1-oxidanylpyridin-4-imine
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: C1=CN(C=CC1=N)O
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Product OPENEYE NAME: (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,17R)-17-acetyl-17-bromo-6-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,17R)-17-bromanyl-17-ethanoyl-6-fluoranyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28BrFO2
MOLECULAR WEIGHT: 411.348223
SMILES: CC(=O)[C@]1(CCC2C1(CCC3C2C[C@@H](C4=CC(=O)CCC34C)F)C)Br
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Product OPENEYE NAME: 3-phenylprop-2-enehydrazide
CAS Name: 3-phenyl-2-propenehydrazide
IUPAC NAME: 3-phenylprop-2-enehydrazide
SYSTEMATIC NAME: 3-phenylprop-2-enehydrazide
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: C1=CC=C(C=C1)C=CC(=O)NN
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Product OPENEYE NAME: but-2-enedihydrazide
CAS Name: 2-butenedihydrazide
IUPAC NAME: but-2-enedihydrazide
SYSTEMATIC NAME: but-2-enedihydrazide
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: C(=CC(=O)NN)C(=O)NN
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Product OPENEYE NAME: hexadecyl dihydrogen phosphate
CAS Name: hexadecyl dihydrogen phosphate
IUPAC NAME: hexadecyl dihydrogen phosphate
SYSTEMATIC NAME: hexadecyl dihydrogen phosphate
MOLECULAR FORMULA: C16H35O4P
MOLECULAR WEIGHT: 322.420461
SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)O
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Product OPENEYE NAME: ethyl 4-phenyl-1-(2-tetrahydrofuran-2-ylethyl)piperidine-4-carboxylate
CAS Name: 1-[2-(2-oxolanyl)ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: CCOC(=O)C1(CCN(CC1)CCC2CCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-phenyl-1-(5-tetrahydrofuran-2-ylpentyl)piperidine-4-carboxylate
CAS Name: 1-[5-(2-oxolanyl)pentyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[5-(oxolan-2-yl)pentyl]-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[5-(oxolan-2-yl)pentyl]-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C23H35NO3
MOLECULAR WEIGHT: 373.5289
SMILES: CCOC(=O)C1(CCN(CC1)CCCCCC2CCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-methoxy-4-phenylazo-aniline
CAS Name: 2-methoxy-4-phenyldiazenylaniline
IUPAC NAME: 2-methoxy-4-phenyldiazenylaniline
SYSTEMATIC NAME: 2-methoxy-4-phenyldiazenyl-aniline
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N
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Product OPENEYE NAME: 2-(4-chlorophenoxy)-N'-isopropyl-acetohydrazide
CAS Name: 2-(4-chlorophenoxy)-N'-propan-2-ylacetohydrazide
IUPAC NAME: 2-(4-chlorophenoxy)-N'-propan-2-ylacetohydrazide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N'-propan-2-yl-ethanehydrazide
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: CC(C)NNC(=O)COC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 2-[but-2-enoyl(propyl)amino]-N,N-dimethyl-butanamide
CAS Name: N,N-dimethyl-2-[1-oxobut-2-enyl(propyl)amino]butanamide
IUPAC NAME: 2-[but-2-enoyl(propyl)amino]-N,N-dimethylbutanamide
SYSTEMATIC NAME: 2-[but-2-enoyl(propyl)amino]-N,N-dimethyl-butanamide
MOLECULAR FORMULA: C13H24N2O2
MOLECULAR WEIGHT: 240.34186
SMILES: CCCN(C(CC)C(=O)N(C)C)C(=O)C=CC
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Product OPENEYE NAME: (azaniumylcarbonimidoyl)-(2-phenoxyethyl)ammonium sulfate
CAS Name: [ammonio(imino)methyl]-(2-phenoxyethyl)ammonium sulfate
IUPAC NAME: (C-azaniumylcarbonimidoyl)-(2-phenoxyethyl)azanium sulfate
SYSTEMATIC NAME: (C-azaniumylcarbonimidoyl)-(2-phenoxyethyl)azanium sulfate
MOLECULAR FORMULA: C9H15N3O5S
MOLECULAR WEIGHT: 277.2975
SMILES: C1=CC=C(C=C1)OCC[NH2+]C(=N)[NH3+].[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-(2-phenoxyethyl)guanidine
CAS Name: 2-(2-phenoxyethyl)guanidine
IUPAC NAME: 2-(2-phenoxyethyl)guanidine
SYSTEMATIC NAME: 2-(2-phenoxyethyl)guanidine
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: C1=CC=C(C=C1)OCCN=C(N)N
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Product OPENEYE NAME: [[N'-(p-tolylmethyl)carbamimidoyl]amino]ammonium nitrate
CAS Name: [[amino-[(4-methylphenyl)methylimino]methyl]amino]ammonium nitrate
IUPAC NAME: [[N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]azanium nitrate
SYSTEMATIC NAME: [[N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]azanium nitrate
MOLECULAR FORMULA: C9H15N5O3
MOLECULAR WEIGHT: 241.2471
SMILES: CC1=CC=C(C=C1)CN=C(N)N[NH3+].[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 1-amino-2-(p-tolylmethyl)guanidine
CAS Name: 1-amino-2-[(4-methylphenyl)methyl]guanidine
IUPAC NAME: 1-amino-2-[(4-methylphenyl)methyl]guanidine
SYSTEMATIC NAME: 1-azanyl-2-[(4-methylphenyl)methyl]guanidine
MOLECULAR FORMULA: C9H14N4
MOLECULAR WEIGHT: 178.23426
SMILES: CC1=CC=C(C=C1)CN=C(N)NN
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Product OPENEYE NAME: 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one
CAS Name: 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-3H-purin-6-one
IUPAC NAME: 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(4aR,6R,7R,7aS)-2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H11N4O7P
MOLECULAR WEIGHT: 330.190701
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC=NC4=O)O)OP(=O)(O1)O
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Product OPENEYE NAME: 2-(hydroxyamino)acetic acid
CAS Name: 2-(hydroxyamino)acetic acid
IUPAC NAME: 2-(hydroxyamino)acetic acid
SYSTEMATIC NAME: 2-(oxidanylamino)ethanoic acid
MOLECULAR FORMULA: C2H5NO3
MOLECULAR WEIGHT: 91.066
SMILES: C(C(=O)O)NO
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