Product OPENEYE NAME: [N'-(2-sulfanylethyl)carbamimidoyl]ammonium bromide
CAS Name: [amino(2-mercaptoethylimino)methyl]ammonium bromide
IUPAC NAME: [N'-(2-sulfanylethyl)carbamimidoyl]azanium bromide
SYSTEMATIC NAME: [N'-(2-sulfanylethyl)carbamimidoyl]azanium bromide
MOLECULAR FORMULA: C3H10BrN3S
MOLECULAR WEIGHT: 200.1006
SMILES: C(CS)N=C([NH3+])N.[Br-]
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-[6-(2-furylmethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-[6-(2-furanylmethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H17N5O5
MOLECULAR WEIGHT: 347.32598
SMILES: C1=COC(=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
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Product OPENEYE NAME: 1,3-diethyl-1,3-diphenyl-thiourea
CAS Name: 1,3-diethyl-1,3-diphenylthiourea
IUPAC NAME: 1,3-diethyl-1,3-diphenylthiourea
SYSTEMATIC NAME: 1,3-diethyl-1,3-diphenyl-thiourea
MOLECULAR FORMULA: C17H20N2S
MOLECULAR WEIGHT: 284.4191
SMILES: CCN(C1=CC=CC=C1)C(=S)N(CC)C2=CC=CC=C2
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Product OPENEYE NAME: 3-methylhex-1-yn-3-ol
CAS Name: 3-methyl-1-hexyn-3-ol
IUPAC NAME: 3-methylhex-1-yn-3-ol
SYSTEMATIC NAME: 3-methylhex-1-yn-3-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CCCC(C)(C#C)O
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Product OPENEYE NAME: (4-chlorophenyl)-phenyl-diazene
CAS Name: (4-chlorophenyl)-phenyldiazene
IUPAC NAME: (4-chlorophenyl)-phenyldiazene
SYSTEMATIC NAME: (4-chlorophenyl)-phenyl-diazene
MOLECULAR FORMULA: C12H9ClN2
MOLECULAR WEIGHT: 216.66626
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 4-methylcyclohex-3-ene-1-carboxylic acid
CAS Name: 4-methyl-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: 4-methylcyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: 4-methylcyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1=CCC(CC1)C(=O)O
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Product OPENEYE NAME: 5-[2-(diethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
CAS Name: 5-[2-(diethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
IUPAC NAME: 5-[2-(diethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 5-[2-(diethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C19H23N3O
MOLECULAR WEIGHT: 309.40542
SMILES: CCN(CC)CCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O
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Product OPENEYE NAME: 4-butoxyaniline
CAS Name: 4-butoxyaniline
IUPAC NAME: 4-butoxyaniline
SYSTEMATIC NAME: 4-butoxyaniline
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCCCOC1=CC=C(C=C1)N
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Product OPENEYE NAME: 4-oxo-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butanoic acid
CAS Name: 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]butanoic acid
IUPAC NAME: 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
MOLECULAR FORMULA: C33H54O5
MOLECULAR WEIGHT: 530.77886
SMILES: CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
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Product OPENEYE NAME: phenyl butanoate
CAS Name: butanoic acid phenyl ester
IUPAC NAME: phenyl butanoate
SYSTEMATIC NAME: phenyl butanoate
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCCC(=O)OC1=CC=CC=C1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N4O5
MOLECULAR WEIGHT: 388.41766
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CCCC5
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Product OPENEYE NAME: 4-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]-1,3-dioxolan-2-one
CAS Name: 4-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]-1,3-dioxolan-2-one
IUPAC NAME: 4-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]-1,3-dioxolan-2-one
SYSTEMATIC NAME: 4-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]-1,3-dioxolan-2-one
MOLECULAR FORMULA: C27H24O5
MOLECULAR WEIGHT: 428.47646
SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5COC(=O)O5
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Product OPENEYE NAME: 2-hexyl-4-methyl-1,3-dioxolane
CAS Name: 2-hexyl-4-methyl-1,3-dioxolane
IUPAC NAME: 2-hexyl-4-methyl-1,3-dioxolane
SYSTEMATIC NAME: 2-hexyl-4-methyl-1,3-dioxolane
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCCCC1OCC(O1)C
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Product OPENEYE NAME: cyclohexyl formate
CAS Name: formic acid cyclohexyl ester
IUPAC NAME: cyclohexyl formate
SYSTEMATIC NAME: cyclohexyl methanoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: C1CCC(CC1)OC=O
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