Product OPENEYE NAME: 2-(4-chlorophenyl)-1-cyano-guanidine
CAS Name: 2-(4-chlorophenyl)-1-cyanoguanidine
IUPAC NAME: 2-(4-chlorophenyl)-1-cyanoguanidine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1-cyano-guanidine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC(=CC=C1N=C(N)NC#N)Cl
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Product OPENEYE NAME: 2,4-dimethyl-1-sec-butyl-benzene
CAS Name: 1-butan-2-yl-2,4-dimethylbenzene
IUPAC NAME: 1-butan-2-yl-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-butan-2-yl-2,4-dimethyl-benzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CCC(C)C1=C(C=C(C=C1)C)C
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Product OPENEYE NAME: 9-methylcarbazole
CAS Name: 9-methylcarbazole
IUPAC NAME: 9-methylcarbazole
SYSTEMATIC NAME: 9-methylcarbazole
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: CN1C2=CC=CC=C2C3=CC=CC=C31
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Product OPENEYE NAME: 9-vinylcarbazole
CAS Name: 9-ethenylcarbazole
IUPAC NAME: 9-ethenylcarbazole
SYSTEMATIC NAME: 9-ethenylcarbazole
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: C=CN1C2=CC=CC=C2C3=CC=CC=C31
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Product OPENEYE NAME: 2-(2-piperidyl)ethanol
CAS Name: 2-(2-piperidinyl)ethanol
IUPAC NAME: 2-piperidin-2-ylethanol
SYSTEMATIC NAME: 2-piperidin-2-ylethanol
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: C1CCNC(C1)CCO
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Product OPENEYE NAME: 5-methyl-2,3-dihydrofuran
CAS Name: 5-methyl-2,3-dihydrofuran
IUPAC NAME: 5-methyl-2,3-dihydrofuran
SYSTEMATIC NAME: 5-methyl-2,3-dihydrofuran
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: CC1=CCCO1
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Product OPENEYE NAME: methyl 3-hydroxybutanoate
CAS Name: 3-hydroxybutanoic acid methyl ester
IUPAC NAME: methyl 3-hydroxybutanoate
SYSTEMATIC NAME: methyl 3-oxidanylbutanoate
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: CC(CC(=O)OC)O
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Product OPENEYE NAME: 1,2,3-trifluorobenzene
CAS Name: 1,2,3-trifluorobenzene
IUPAC NAME: 1,2,3-trifluorobenzene
SYSTEMATIC NAME: 1,2,3-tris(fluoranyl)benzene
MOLECULAR FORMULA: C6H3F3
MOLECULAR WEIGHT: 132.08323
SMILES: C1=CC(=C(C(=C1)F)F)F
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Product OPENEYE NAME: (1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate
CAS Name: phosphoric acid (1,3-dioxo-2-benzo[de]isoquinolinyl) diethyl ester
IUPAC NAME: (1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] diethyl phosphate
MOLECULAR FORMULA: C16H16NO6P
MOLECULAR WEIGHT: 349.275101
SMILES: CCOP(=O)(OCC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
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Product OPENEYE NAME: [(9S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
CAS Name: 1-adamantanecarboxylic acid [(9S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(9S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
SYSTEMATIC NAME: [(9S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
MOLECULAR FORMULA: C29H40O3
MOLECULAR WEIGHT: 436.6261
SMILES: CC12CC[C@H]3C([C@@H]1CC[C@@H]2OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=O)CCC37
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Product OPENEYE NAME: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
CAS Name: calcium (2S)-2-[[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioate
IUPAC NAME: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: calcium (2S)-2-[[4-[(2-azanyl-5-methanoyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C20H21CaN7O7
MOLECULAR WEIGHT: 511.50144
SMILES: C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
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