Product OPENEYE NAME: 1-(diaminomethylene)-2-(2-furylmethyl)guanidine
CAS Name: 1-(diaminomethylidene)-2-(2-furanylmethyl)guanidine
IUPAC NAME: 1-(diaminomethylidene)-2-(furan-2-ylmethyl)guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(furan-2-ylmethyl)guanidine
MOLECULAR FORMULA: C7H11N5O
MOLECULAR WEIGHT: 181.19514
SMILES: C1=COC(=C1)CN=C(N)N=C(N)N
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Product OPENEYE NAME: 3-phenylsulfanylpropane-1,2-diol
CAS Name: 3-(phenylthio)propane-1,2-diol
IUPAC NAME: 3-phenylsulfanylpropane-1,2-diol
SYSTEMATIC NAME: 3-phenylsulfanylpropane-1,2-diol
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: C1=CC=C(C=C1)SCC(CO)O
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Product OPENEYE NAME: 3-(benzofuran-2-yl)-3-oxo-propanenitrile
CAS Name: 3-(2-benzofuranyl)-3-oxopropanenitrile
IUPAC NAME: 3-(1-benzofuran-2-yl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-(1-benzofuran-2-yl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C11H7NO2
MOLECULAR WEIGHT: 185.17878
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)CC#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N2O6+2
MOLECULAR WEIGHT: 652.81892
SMILES: C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C
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Product OPENEYE NAME: N6,N6,2-trimethylacridine-3,6-diamine
CAS Name: N6,N6,2-trimethylacridine-3,6-diamine
IUPAC NAME: 6-N,6-N,2-trimethylacridine-3,6-diamine
SYSTEMATIC NAME: N6,N6,2-trimethylacridine-3,6-diamine
MOLECULAR FORMULA: C16H17N3
MOLECULAR WEIGHT: 251.32628
SMILES: CC1=C(C=C2C(=C1)C=C3C=CC(=CC3=N2)N(C)C)N
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Product OPENEYE NAME: (1S,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CAS Name: (1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
IUPAC NAME: (1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
SYSTEMATIC NAME: (1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@](C3CC2)(C)C(=O)O)C
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Product OPENEYE NAME: (2S)-2-aminohexanoic acid
CAS Name: (2S)-2-aminohexanoic acid
IUPAC NAME: (2S)-2-aminohexanoic acid
SYSTEMATIC NAME: (2S)-2-azanylhexanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCCC[C@@H](C(=O)O)N
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Product OPENEYE NAME: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CAS Name: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
IUPAC NAME: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SYSTEMATIC NAME: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
MOLECULAR FORMULA: C16H14N4O2
MOLECULAR WEIGHT: 294.30796
SMILES: C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-isobutyl-4-methyl-benzene
CAS Name: 1-methyl-4-(2-methylpropyl)benzene
IUPAC NAME: 1-methyl-4-(2-methylpropyl)benzene
SYSTEMATIC NAME: 1-methyl-4-(2-methylpropyl)benzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC1=CC=C(C=C1)CC(C)C
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Product OPENEYE NAME: 4-bromobut-1-ene
CAS Name: 4-bromo-1-butene
IUPAC NAME: 4-bromobut-1-ene
SYSTEMATIC NAME: 4-bromanylbut-1-ene
MOLECULAR FORMULA: C4H7Br
MOLECULAR WEIGHT: 135.00238
SMILES: C=CCCBr
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Product OPENEYE NAME: 1,1-diallylhydrazine
CAS Name: 1,1-bis(prop-2-enyl)hydrazine
IUPAC NAME: 1,1-bis(prop-2-enyl)hydrazine
SYSTEMATIC NAME: 1,1-bis(prop-2-enyl)diazane
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: C=CCN(CC=C)N
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Product OPENEYE NAME: 3-chloro-2-methyl-but-1-ene
CAS Name: 3-chloro-2-methyl-1-butene
IUPAC NAME: 3-chloro-2-methylbut-1-ene
SYSTEMATIC NAME: 3-chloranyl-2-methyl-but-1-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CC(C(=C)C)Cl
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Product OPENEYE NAME: 5-methylhex-3-en-2-one
CAS Name: 5-methyl-3-hexen-2-one
IUPAC NAME: 5-methylhex-3-en-2-one
SYSTEMATIC NAME: 5-methylhex-3-en-2-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC(C)C=CC(=O)C
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Product OPENEYE NAME: (7-amino-9H-fluoren-2-yl)ammonium chloride
CAS Name: (7-amino-9H-fluoren-2-yl)ammonium chloride
IUPAC NAME: (7-amino-9H-fluoren-2-yl)azanium chloride
SYSTEMATIC NAME: (7-azanyl-9H-fluoren-2-yl)azanium chloride
MOLECULAR FORMULA: C13H13ClN2
MOLECULAR WEIGHT: 232.70872
SMILES: C1C2=C(C=CC(=C2)[NH3+])C3=C1C=C(C=C3)N.[Cl-]
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Product OPENEYE NAME: 2,6-ditert-butyl-4-nitro-aniline
CAS Name: 2,6-ditert-butyl-4-nitroaniline
IUPAC NAME: 2,6-ditert-butyl-4-nitroaniline
SYSTEMATIC NAME: 2,6-ditert-butyl-4-nitro-aniline
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC(C)(C)C1=CC(=CC(=C1N)C(C)(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-[[4-(methylcarbamoyl)-1-pyridin-1-iumyl]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C22H23N4O5S+
MOLECULAR WEIGHT: 455.50682
SMILES: CNC(=O)C1=CC=[N+](C=C1)CC2=C(N3C(CC2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)O
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Product OPENEYE NAME: trimethyl-[2-[[4-[4-[2-(trimethylammonio)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]ammonium diiodide
CAS Name: trimethyl-[2-[[4-[4-[2-(trimethylammonio)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]ammonium diiodide
IUPAC NAME: trimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[2-[[4-[4-[2-(trimethylazaniumyl)ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethyl]azanium diiodide
MOLECULAR FORMULA: C22H36I2N4O4S2
MOLECULAR WEIGHT: 738.48458
SMILES: C[N+](C)(C)CCNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC[N+](C)(C)C.[I-].[I-]
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