Product OPENEYE NAME: 3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-(methylamino)benzaldehyde
CAS Name: 3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-(methylamino)benzaldehyde
IUPAC NAME: 3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-(methylamino)benzaldehyde
SYSTEMATIC NAME: 3-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethyl]-2-(methylamino)benzaldehyde
MOLECULAR FORMULA: C14H17N5O2
MOLECULAR WEIGHT: 287.31708
SMILES: CNC1=C(C=CC=C1CCC2=C(NC(=NC2=O)N)N)C=O
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Product OPENEYE NAME: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde
CAS Name: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde
IUPAC NAME: 2-amino-3-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzaldehyde
SYSTEMATIC NAME: 2-azanyl-3-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]benzaldehyde
MOLECULAR FORMULA: C14H17N5O2
MOLECULAR WEIGHT: 287.31708
SMILES: C1=CC(=C(C(=C1)CCCC2=C(NC(=NC2=O)N)N)N)C=O
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Product OPENEYE NAME: 2-amino-5-isopropyl-6-methyl-1H-pyrimidin-4-one
CAS Name: 2-amino-6-methyl-5-propan-2-yl-1H-pyrimidin-4-one
IUPAC NAME: 2-amino-6-methyl-5-propan-2-yl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-methyl-5-propan-2-yl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H13N3O
MOLECULAR WEIGHT: 167.20832
SMILES: CC1=C(C(=O)N=C(N1)N)C(C)C
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Product OPENEYE NAME: 2-[[4-[[4-[[4-[[4-[(4-amino-4-carboxy-butanoyl)amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]-benzyloxycarbonyl-amino]pentanedioic acid
CAS Name: 2-[[4-[[4-[[4-[[4-[(4-amino-4-carboxy-1-oxobutyl)amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]-phenylmethoxycarbonylamino]pentanedioic acid
IUPAC NAME: 2-[[4-[[4-[[4-[[4-[(4-amino-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]-phenylmethoxycarbonylamino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[4-[[4-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-phenylmethox
MOLECULAR FORMULA: C38H50N6O21
MOLECULAR WEIGHT: 926.8312
SMILES: C1=CC=C(C=C1)COC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-5-[(3-carboxy-1-formyl-propyl)amino]-5-oxo-pentanoic acid
CAS Name: 2-amino-5-[(4-carboxy-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
IUPAC NAME: 2-amino-5-[(4-carboxy-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-[[5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H16N2O6
MOLECULAR WEIGHT: 260.24384
SMILES: C(CC(=O)O)C(C=O)NC(=O)CCC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]benzaldehyde
CAS Name: 2-amino-3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]benzaldehyde
IUPAC NAME: 2-amino-3-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]benzaldehyde
SYSTEMATIC NAME: 2-azanyl-3-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethyl]benzaldehyde
MOLECULAR FORMULA: C13H15N5O2
MOLECULAR WEIGHT: 273.2905
SMILES: C1=CC(=C(C(=C1)CCC2=C(NC(=NC2=O)N)N)N)C=O
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Product OPENEYE NAME: 4-amino-5-[benzoyl-[1-carboxy-4-oxo-4-(propylaminooxy)butyl]amino]-5-oxo-pentanoic acid
CAS Name: 4-amino-5-[benzoyl-[1-carboxy-4-oxo-4-(propylaminooxy)butyl]amino]-5-oxopentanoic acid
IUPAC NAME: 4-amino-5-[benzoyl-[1-carboxy-4-oxo-4-(propylaminooxy)butyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-5-[[1-oxidanyl-1,5-bis(oxidanylidene)-5-(propylaminooxy)pentan-2-yl]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H27N3O8
MOLECULAR WEIGHT: 437.44368
SMILES: CCCNOC(=O)CCC(C(=O)O)N(C(=O)C1=CC=CC=C1)C(=O)C(CCC(=O)O)N
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Product OPENEYE NAME: amino 3-(diacetylamino)-6-oxo-1-propyl-2-pyrimidin-5-yl-cyclohexa-2,4-diene-1-carboxylate
CAS Name: 3-(diacetylamino)-6-oxo-1-propyl-2-(5-pyrimidinyl)-1-cyclohexa-2,4-dienecarboxylic acid amino ester
IUPAC NAME: amino 3-(diacetylamino)-6-oxo-1-propyl-2-pyrimidin-5-ylcyclohexa-2,4-diene-1-carboxylate
SYSTEMATIC NAME: azanyl 3-(diethanoylamino)-6-oxidanylidene-1-propyl-2-pyrimidin-5-yl-cyclohexa-2,4-diene-1-carboxylate
MOLECULAR FORMULA: C18H20N4O5
MOLECULAR WEIGHT: 372.3752
SMILES: CCCC1(C(=O)C=CC(=C1C2=CN=CN=C2)N(C(=O)C)C(=O)C)C(=O)ON
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Product OPENEYE NAME: 2-[[4-[[4-[[4-[(4-amino-4-carboxy-butanoyl)amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]-benzoyl-amino]-3-propyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid
CAS Name: 2-[[4-[[4-[[4-[(4-amino-4-carboxy-1-oxobutyl)amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]-benzoylamino]-3-propyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanedioic acid
IUPAC NAME: 2-[[4-[[4-[[4-[(4-amino-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]-benzoylamino]-3-propyl-2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[4-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]-(phenylcarbonyl)amino]-3-propyl-2-[2,2,2-tris(fluoranyl)etha
MOLECULAR FORMULA: C37H47F3N6O18
MOLECULAR WEIGHT: 920.79369
SMILES: CCCC(CC(=O)O)C(C(=O)O)(NC(=O)C(F)(F)F)N(C(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)C1=CC=CC=C1
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Product OPENEYE NAME: N-[4-(diacetylamino)-3-[2-[3-formyl-2-(methylamino)phenyl]ethyl]-6-oxo-1H-pyrimidin-3-ium-2-yl]acetamide
CAS Name: N-[4-(diacetylamino)-3-[2-[3-formyl-2-(methylamino)phenyl]ethyl]-6-oxo-1H-pyrimidin-3-ium-2-yl]acetamide
IUPAC NAME: N-[4-(diacetylamino)-3-[2-[3-formyl-2-(methylamino)phenyl]ethyl]-6-oxo-1H-pyrimidin-3-ium-2-yl]acetamide
SYSTEMATIC NAME: N-[4-(diethanoylamino)-3-[2-[3-methanoyl-2-(methylamino)phenyl]ethyl]-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]ethanamide
MOLECULAR FORMULA: C20H24N5O5+
MOLECULAR WEIGHT: 414.43506
SMILES: CC(=O)NC1=[N+](C(=CC(=O)N1)N(C(=O)C)C(=O)C)CCC2=CC=CC(=C2NC)C=O
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Product OPENEYE NAME: 2-[(2-aminobenzoyl)-[4-[[4-[[4-[[4-[(4-amino-4-carboxy-butanoyl)amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-2-propyl-pentanedioic acid
CAS Name: 2-[[4-[[4-[[4-[[4-[(4-amino-4-carboxy-1-oxobutyl)amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]-[(2-aminophenyl)-oxomethyl]amino]-2-propylpentanedioic acid
IUPAC NAME: 2-[(2-aminobenzoyl)-[4-[[4-[[4-[[4-[(4-amino-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-2-propylpentanedioic acid
SYSTEMATIC NAME: 2-[(2-aminophenyl)carbonyl-[4-[[4-[[4-[[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene
MOLECULAR FORMULA: C40H55N7O20
MOLECULAR WEIGHT: 953.8996
SMILES: CCCC(CCC(=O)O)(C(=O)O)N(C(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)C1=CC=CC=C1N
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Product OPENEYE NAME: (2-oxocyclopentyl) (E)-3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-2-phenyl-hept-5-enoate
CAS Name: (E)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-2-phenyl-5-heptenoic acid (2-oxocyclopentyl) ester
IUPAC NAME: (2-oxocyclopentyl) (E)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-2-phenylhept-5-enoate
SYSTEMATIC NAME: (2-oxidanylidenecyclopentyl) (E)-3-oxidanyl-2-(2-oxidanyl-3-phenoxy-propoxy)-2-phenyl-hept-5-enoate
MOLECULAR FORMULA: C27H32O7
MOLECULAR WEIGHT: 468.53878
SMILES: C/C=C/CC(C(C1=CC=CC=C1)(C(=O)OC2CCCC2=O)OCC(COC3=CC=CC=C3)O)O
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Product OPENEYE NAME: phenyl (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-5-enoate
CAS Name: (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-5-heptenoic acid phenyl ester
IUPAC NAME: phenyl (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-5-enoate
SYSTEMATIC NAME: phenyl (Z)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoate
MOLECULAR FORMULA: C27H32O7
MOLECULAR WEIGHT: 468.53878
SMILES: C1CC(C(=O)C1)/C(=C\CO)/CC(CC(=O)OC2=CC=CC=C2)OCC(COC3=CC=CC=C3)O
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Product OPENEYE NAME: [(E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]hept-5-enoyl] 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
CAS Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid [(E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-1-oxohept-5-enyl] ester
IUPAC NAME: [(E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]hept-5-enoyl] 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
SYSTEMATIC NAME: [(E)-7-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]hept-5-enoyl] 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate
MOLECULAR FORMULA: C28H30O9
MOLECULAR WEIGHT: 510.5324
SMILES: C1C(C(C(C1=O)C/C=C/CCCC(=O)OC(=O)C2=C3C(=CC=C2)O3)OCC(COC4=CC=CC=C4)O)O
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Product OPENEYE NAME: cyclopentyl (E)-2-tetrahydropyran-2-yloxyhept-5-enoate
CAS Name: (E)-2-(2-oxanyloxy)-5-heptenoic acid cyclopentyl ester
IUPAC NAME: cyclopentyl (E)-2-(oxan-2-yloxy)hept-5-enoate
SYSTEMATIC NAME: cyclopentyl (E)-2-(oxan-2-yloxy)hept-5-enoate
MOLECULAR FORMULA: C17H28O4
MOLECULAR WEIGHT: 296.40182
SMILES: C/C=C/CCC(C(=O)OC1CCCC1)OC2CCCCO2
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Product OPENEYE NAME: 2-oxoethyl (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-4-enoate
CAS Name: (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-4-heptenoic acid 2-oxoethyl ester
IUPAC NAME: 2-oxoethyl (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-4-enoate
SYSTEMATIC NAME: 2-oxidanylideneethyl (E)-2-(4-benzamidophenyl)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-4-enoate
MOLECULAR FORMULA: C36H39NO9
MOLECULAR WEIGHT: 629.69616
SMILES: C1CC(C(=O)C1)/C(=C/C(C(C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC=O)OCC(COC4=CC=CC=C4)O)/CCO
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Product OPENEYE NAME: 2-[4-(2-bromoacetyl)phenyl]benzamide
CAS Name: 2-[4-(2-bromo-1-oxoethyl)phenyl]benzamide
IUPAC NAME: 2-[4-(2-bromoacetyl)phenyl]benzamide
SYSTEMATIC NAME: 2-[4-(2-bromanylethanoyl)phenyl]benzamide
MOLECULAR FORMULA: C15H12BrNO2
MOLECULAR WEIGHT: 318.16528
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)CBr)C(=O)N
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Product OPENEYE NAME: adipic acid; heptane-1,6-diamine
CAS Name: heptane-1,6-diamine; hexanedioic acid
IUPAC NAME: heptane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: heptane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C13H28N2O4
MOLECULAR WEIGHT: 276.37242
SMILES: CC(CCCCCN)N.C(CCC(=O)O)CC(=O)O
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Product OPENEYE NAME: heptane-1,6-diamine
CAS Name: heptane-1,6-diamine
IUPAC NAME: heptane-1,6-diamine
SYSTEMATIC NAME: heptane-1,6-diamine
MOLECULAR FORMULA: C7H18N2
MOLECULAR WEIGHT: 130.23122
SMILES: CC(CCCCCN)N
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Product OPENEYE NAME: 6-(4-methylphenoxy)-1H-1,3,5-triazine-2,4-dione
CAS Name: 6-(4-methylphenoxy)-1H-1,3,5-triazine-2,4-dione
IUPAC NAME: 6-(4-methylphenoxy)-1H-1,3,5-triazine-2,4-dione
SYSTEMATIC NAME: 6-(4-methylphenoxy)-1H-1,3,5-triazine-2,4-dione
MOLECULAR FORMULA: C10H9N3O3
MOLECULAR WEIGHT: 219.19676
SMILES: CC1=CC=C(C=C1)OC2=NC(=O)NC(=O)N2
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Product OPENEYE NAME: N-[[3-[[isobutyl(methyl)amino]methyl]-2-thienyl]sulfonyl]benzamide
CAS Name: N-[[3-[[methyl(2-methylpropyl)amino]methyl]-2-thiophenyl]sulfonyl]benzamide
IUPAC NAME: N-[3-[[methyl(2-methylpropyl)amino]methyl]thiophen-2-yl]sulfonylbenzamide
SYSTEMATIC NAME: N-[3-[[methyl(2-methylpropyl)amino]methyl]thiophen-2-yl]sulfonylbenzamide
MOLECULAR FORMULA: C17H22N2O3S2
MOLECULAR WEIGHT: 366.49818
SMILES: CC(C)CN(C)CC1=C(SC=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 4-(2-methylbenzoyl)thiophene-2-sulfonamide
CAS Name: 4-[(2-methylphenyl)-oxomethyl]-2-thiophenesulfonamide
IUPAC NAME: 4-(2-methylbenzoyl)thiophene-2-sulfonamide
SYSTEMATIC NAME: 4-(2-methylphenyl)carbonylthiophene-2-sulfonamide
MOLECULAR FORMULA: C12H11NO3S2
MOLECULAR WEIGHT: 281.35064
SMILES: CC1=CC=CC=C1C(=O)C2=CSC(=C2)S(=O)(=O)N
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