CAS RN: 86263-61-8
CAS Name: 1-ethylimidazole-4,5-dicarboxylic acid
OPENEYE Name: 1-ethylimidazole-4,5-dicarboxylic acid
IUPAC Name: 1-ethylimidazole-4,5-dicarboxylic acid
SYSTEMATIC NAME: 1-ethylimidazole-4,5-dicarboxylic acid
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: CCN1C=NC(=C1C(=O)O)C(=O)O
Structure:
CAS RN: 86261-23-6
CAS Name: 4-[nitroso(prop-2-enyl)amino]butanoic acid
OPENEYE Name: 4-[allyl(nitroso)amino]butanoic acid
IUPAC Name: 4-[nitroso(prop-2-enyl)amino]butanoic acid
SYSTEMATIC NAME: 4-[nitroso(prop-2-enyl)amino]butanoic acid
MOLECULAR FORMULA: C7H12N2O3
MOLECULAR WEIGHT: 172.18178
SMILES: C=CCN(CCCC(=O)O)N=O
Structure:
CAS RN: 86248-66-0
CAS Name: (1R,2S,4aR,5S,8aS)-5-(hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
OPENEYE Name: (1R,2S,4aR,5S,8aS)-5-(hydroxymethyl)-1-(3-hydroxy-3-methyl-pent-4-enyl)-2,5,8a-trimethyl-decalin-2-ol
IUPAC Name: (1R,2S,4aR,5S,8aS)-5-(hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SYSTEMATIC NAME: (1R,2S,4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-(3-methyl-3-oxidanyl-pent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
MOLECULAR FORMULA: C20H36O3
MOLECULAR WEIGHT: 324.49804
SMILES: C[C@@]1(CCC[C@]2([C@H]1CC[C@]([C@@H]2CCC(C)(C=C)O)(C)O)C)CO
Structure:
CAS RN: 86247-86-1
CAS Name: 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-1-benzopyran-3-ol
OPENEYE Name: 8-[2-hydroxy-3-(isopropylamino)propoxy]chroman-3-ol
IUPAC Name: 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-ol
SYSTEMATIC NAME: 8-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-ol
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O)O
Structure:
CAS RN: 86227-20-5
CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
OPENEYE Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SYSTEMATIC NAME: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
MOLECULAR FORMULA: C19H26ClN5O
MOLECULAR WEIGHT: 375.89564
SMILES: C1CCN2C(=NN(C2=O)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C1
Structure:
CAS RN: 86223-08-7
CAS Name: 8-(4-hydroxybutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
OPENEYE Name: 8-(4-hydroxybutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
IUPAC Name: 8-(4-hydroxybutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
SYSTEMATIC NAME: 8-(4-oxidanylbutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
MOLECULAR FORMULA: C16H16O3S
MOLECULAR WEIGHT: 288.36144
SMILES: C1C2=C(C(=O)C3=C(O1)C=CC(=C3)CCCCO)SC=C2
Structure:
CAS RN: 86194-94-7
CAS Name: [1-(1-imidazolyl)-1-oxopropan-2-yl]carbamic acid
OPENEYE Name: (2-imidazol-1-yl-1-methyl-2-oxo-ethyl)carbamic acid
IUPAC Name: (1-imidazol-1-yl-1-oxopropan-2-yl)carbamic acid
SYSTEMATIC NAME: (1-imidazol-1-yl-1-oxidanylidene-propan-2-yl)carbamic acid
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: CC(C(=O)N1C=CN=C1)NC(=O)O
Structure:
CAS RN: 86190-22-9
CAS Name: (4S)-4-amino-5-[(2S)-2-[[[(2S)-3-methyl-2-(4-nitroanilino)-1-oxobutyl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[(2S)-2-[[(2S)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C21H29N5O7
MOLECULAR WEIGHT: 463.48426
SMILES: CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)N)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 86189-63-1
CAS Name: 7,8,10-trimethyl-2-sulfinyl-4-benzo[g]pteridinone
OPENEYE Name: 7,8,10-trimethyl-2-sulfinyl-benzo[g]pteridin-4-one
IUPAC Name: 7,8,10-trimethyl-2-sulfinylbenzo[g]pteridin-4-one
SYSTEMATIC NAME: 7,8,10-trimethyl-2-sulfinyl-benzo[g]pteridin-4-one
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=S=O)NC(=O)C3=N2)C
Structure:
CAS RN: 86181-45-5
CAS Name: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridinyl]methyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridyl]methyl]-1H-pyrimidin-6-one
IUPAC Name: 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[[6-(hydroxymethyl)pyridin-3-yl]methyl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-5-[[6-(hydroxymethyl)pyridin-3-yl]methyl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C21H24BrN5O2
MOLECULAR WEIGHT: 458.35156
SMILES: CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CN=C(C=C3)CO)Br
Structure:
CAS RN: 86158-09-0
CAS Name: 1-[3-bromo-2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(3,5-dibromo-4-hydroxyphenyl)-1-propanone
OPENEYE Name: 1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
IUPAC Name: 1-[3-bromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[3-bromanyl-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)phenyl]propan-1-one
MOLECULAR FORMULA: C21H21Br3O10
MOLECULAR WEIGHT: 673.09744
SMILES: C1=C(C=C(C(=C1Br)O)Br)CCC(=O)C2=C(C(=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)Br)O
Structure:
CAS RN: 86158-07-8
CAS Name: 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-propanone
OPENEYE Name: 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
IUPAC Name: 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
SYSTEMATIC NAME: 1-[3,5-bis(bromanyl)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C21H21Br3O10
MOLECULAR WEIGHT: 673.09744
SMILES: C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Br)O)Br)O)Br)O
Structure:
CAS RN: 86158-06-7
CAS Name: 1-[3,5-dibromo-2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(3,5-dibromo-4-hydroxyphenyl)-1-propanone
OPENEYE Name: 1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(3,5-dibromo-4-hydroxy-phenyl)propan-1-one
IUPAC Name: 1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-[3,5-bis(bromanyl)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-1-one
MOLECULAR FORMULA: C21H20Br4O10
MOLECULAR WEIGHT: 751.9935
SMILES: C1=C(C=C(C(=C1Br)O)Br)CCC(=O)C2=C(C(=C(C(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Br)O)Br)O
Structure:
CAS RN: 86134-80-7
CAS Name: 3-amino-4-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
OPENEYE Name: 3-amino-4-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
IUPAC Name: 3-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
SYSTEMATIC NAME: 3-azanyl-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
MOLECULAR FORMULA: C19H25N3O3
MOLECULAR WEIGHT: 343.4201
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N
Structure:
CAS RN: 86126-12-7
CAS Name: (7R,8R)-7,8-dihydroxy-2-phenyl-7,8-dihydrobenzo[h][1]benzopyran-4-one
OPENEYE Name: (7R,8R)-7,8-dihydroxy-2-phenyl-7,8-dihydrobenzo[h]chromen-4-one
IUPAC Name: (7R,8R)-7,8-dihydroxy-2-phenyl-7,8-dihydrobenzo[h]chromen-4-one
SYSTEMATIC NAME: (7R,8R)-7,8-bis(oxidanyl)-2-phenyl-7,8-dihydrobenzo[h]chromen-4-one
MOLECULAR FORMULA: C19H14O4
MOLECULAR WEIGHT: 306.31206
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)[C@H]([C@@H](C=C4)O)O
Structure:
CAS RN: 86126-02-5
CAS Name: (2R,3R,4S,5R)-2-amino-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4,5-trihydroxyhexanal
OPENEYE Name: (2R,3R,4S,5R)-2-amino-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5-trihydroxy-hexanal
IUPAC Name: (2R,3R,4S,5R)-2-amino-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxyhexanal
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-azanyl-6-[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)hexanal
MOLECULAR FORMULA: C12H24N2O9
MOLECULAR WEIGHT: 340.32696
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)N)O)O)O
Structure:
CAS RN: 42965-68-4
CAS Name: dimethoxy-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxy]-sulfanylidenephosphorane
OPENEYE Name: (2-isopropyl-6-methyl-pyrimidin-4-yl)oxy-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: dimethoxy-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H17N2O3PS
MOLECULAR WEIGHT: 276.292341
SMILES: CC1=CC(=NC(=N1)C(C)C)OP(=S)(OC)OC
Structure:
CAS RN: 86120-57-2
CAS Name: 6-chloro-3-methyl-9-prop-2-enoxy-1,2,4,5-tetrahydro-3-benzazepine
OPENEYE Name: 9-allyloxy-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
IUPAC Name: 6-chloro-3-methyl-9-prop-2-enoxy-1,2,4,5-tetrahydro-3-benzazepine
SYSTEMATIC NAME: 6-chloranyl-3-methyl-9-prop-2-enoxy-1,2,4,5-tetrahydro-3-benzazepine
MOLECULAR FORMULA: C14H18ClNO
MOLECULAR WEIGHT: 251.75182
SMILES: CN1CCC2=C(C=CC(=C2CC1)Cl)OCC=C
Structure:
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