CAS RN: 103827-30-1
CAS Name: 10-[2-(1-methyl-1-oxido-2-piperidin-1-iumyl)ethyl]-2-(methylthio)phenothiazine
OPENEYE Name: 10-[2-(1-methyl-1-oxido-piperidin-1-ium-2-yl)ethyl]-2-methylsulfanyl-phenothiazine
IUPAC Name: 10-[2-(1-methyl-1-oxidopiperidin-1-ium-2-yl)ethyl]-2-methylsulfanylphenothiazine
SYSTEMATIC NAME: 10-[2-(1-methyl-1-oxidanidyl-piperidin-1-ium-2-yl)ethyl]-2-methylsulfanyl-phenothiazine
MOLECULAR FORMULA: C21H26N2OS2
MOLECULAR WEIGHT: 386.57394
SMILES: C[N+]1(CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-]
Structure:
CAS RN: 103827-16-3
CAS Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
OPENEYE Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
IUPAC Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
SYSTEMATIC NAME: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
MOLECULAR FORMULA: C19H25F3N4O
MOLECULAR WEIGHT: 382.42321
SMILES: CC(CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NCCC2=CN=CN2
Structure:
CAS RN: 103827-15-2
CAS Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide
OPENEYE Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(p-tolyl)heptanamide
IUPAC Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide
SYSTEMATIC NAME: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide
MOLECULAR FORMULA: C19H28N4O
MOLECULAR WEIGHT: 328.45182
SMILES: CC1=CC=C(C=C1)NC(=O)CCCCC(C)NCCC2=CN=CN2
Structure:
CAS RN: 103818-46-8
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-methyl-2-butanamine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-methyl-butan-2-amine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-methyl-butan-2-amine
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCC(CC1=CC2=C(C=C1)OCO2)NC
Structure:
CAS RN: 103814-80-8
CAS Name: 1,3-dimethyl-7-(2-thiazolidinylmethyl)purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-7-(thiazolidin-2-ylmethyl)purine-2,6-dione
IUPAC Name: 1,3-dimethyl-7-(1,3-thiazolidin-2-ylmethyl)purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-(1,3-thiazolidin-2-ylmethyl)purine-2,6-dione
MOLECULAR FORMULA: C11H15N5O2S
MOLECULAR WEIGHT: 281.3341
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3NCCS3
Structure:
CAS RN: 103794-17-8
CAS Name: tetradecanoic acid [3-[2-[[4-[4-(2,5-dioxo-1-pyrrolyl)phenyl]-1-oxobutyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxotetradecoxy)propyl] ester
OPENEYE Name: [3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoylamino]ethoxy-hydroxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
IUPAC Name: [3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
SYSTEMATIC NAME: [3-[2-[4-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]butanoylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
MOLECULAR FORMULA: C47H77N2O11P
MOLECULAR WEIGHT: 877.094841
SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC1=CC=C(C=C1)N2C(=O)C=CC2=O)OC(=O)CCCCCCCCCCCCC
Structure:
CAS RN: 103769-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16N3O+
MOLECULAR WEIGHT: 302.34984
SMILES: CC1=C2C(=C(C3=C1C=C[N+](=C3)C)C)C4=C(N2)C=CC5=C4N=CO5
Structure:
CAS RN: 103742-75-2
CAS Name: (4aR,4bS,6aS,7S,10bR,11R)-7-hydroxy-6a,11-dimethyl-3,4,4a,4b,5,6,7,10,10a,10b,11,12-dodecahydrochrysen-2-one
OPENEYE Name: (4aR,4bS,6aS,7S,10bR,11R)-7-hydroxy-6a,11-dimethyl-3,4,4a,4b,5,6,7,10,10a,10b,11,12-dodecahydrochrysen-2-one
IUPAC Name: (4aR,4bS,6aS,7S,10bR,11R)-7-hydroxy-6a,11-dimethyl-3,4,4a,4b,5,6,7,10,10a,10b,11,12-dodecahydrochrysen-2-one
SYSTEMATIC NAME: (4aR,4bS,6aS,7S,10bR,11R)-6a,11-dimethyl-7-oxidanyl-3,4,4a,4b,5,6,7,10,10a,10b,11,12-dodecahydrochrysen-2-one
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1C4CC=C[C@@H]([C@]4(CC3)C)O
Structure:
CAS RN: 103730-44-5
CAS Name: (4S,5S,6R)-6-[(1R)-1-hydroxyethyl]-3-[[1-(1-iminoethyl)-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4S,5S,6R)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4S,5S,6R)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4S,5S,6R)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H23N3O4S
MOLECULAR WEIGHT: 353.43652
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N2C(=C1SC3CCN(C3)C(=N)C)C(=O)O)[C@@H](C)O
Structure:
CAS RN: 103715-53-3
CAS Name: 1-[2-[6-(carbamoylamino)hexylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide
OPENEYE Name: 1-[2-oxo-2-(6-ureidohexylamino)ethyl]pyridin-1-ium-3-carboxamide
IUPAC Name: 1-[2-[6-(carbamoylamino)hexylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide
SYSTEMATIC NAME: 1-[2-[6-(aminocarbonylamino)hexylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide
MOLECULAR FORMULA: C15H24N5O3+
MOLECULAR WEIGHT: 322.38276
SMILES: C1=CC(=C[N+](=C1)CC(=O)NCCCCCCNC(=O)N)C(=O)N
Structure:
CAS RN: 103711-74-6
CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-amino-3-chloro-1-oxopropyl]amino]-3-chloro-1-oxopropyl]amino]-3-chloropropanoic acid
OPENEYE Name: (2R)-2-[[(2R)-2-[[(2S)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoyl]amino]-3-chloro-propanoic acid
IUPAC Name: (2R)-2-[[(2R)-2-[[(2S)-2-amino-3-chloropropanoyl]amino]-3-chloropropanoyl]amino]-3-chloropropanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-[[(2S)-2-azanyl-3-chloranyl-propanoyl]amino]-3-chloranyl-propanoyl]amino]-3-chloranyl-propanoic acid
MOLECULAR FORMULA: C9H14Cl3N3O4
MOLECULAR WEIGHT: 334.58416
SMILES: C([C@H](C(=O)N[C@@H](CCl)C(=O)N[C@@H](CCl)C(=O)O)N)Cl
Structure:
CAS RN: 98593-79-4
CAS Name: 1-benzo[a]pyrenamine
OPENEYE Name: benzo[a]pyren-1-amine
IUPAC Name: benzo[a]pyren-1-amine
SYSTEMATIC NAME: benzo[a]pyren-1-amine
MOLECULAR FORMULA: C20H13N
MOLECULAR WEIGHT: 267.32392
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)N)C=C3
Structure:
CAS RN: 98586-86-8
CAS Name: 1-[2-[2-[2-chloroethyl-[2-[4-nitro-2-(1-oxobutyl)phenoxy]ethyl]amino]ethoxy]-5-nitrophenyl]-1-butanone
OPENEYE Name: 1-[2-[2-[2-(2-butanoyl-4-nitro-phenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one
IUPAC Name: 1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
SYSTEMATIC NAME: 1-[2-[2-[2-(2-butanoyl-4-nitro-phenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one
MOLECULAR FORMULA: C26H32ClN3O8
MOLECULAR WEIGHT: 550.00058
SMILES: CCCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCN(CCOC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)CCC)CCCl
Structure:
CAS RN: 98584-70-4
CAS Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]-1-butanone
OPENEYE Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one
IUPAC Name: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
SYSTEMATIC NAME: 1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]-5-nitro-phenyl]butan-1-one
MOLECULAR FORMULA: C16H22Cl2N2O4
MOLECULAR WEIGHT: 377.26288
SMILES: CCCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCN(CCCl)CCCl
Structure:
CAS RN: 98577-44-7
CAS Name: (1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol
OPENEYE Name: (1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol
IUPAC Name: (1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol
SYSTEMATIC NAME: (1R,2R)-6-fluoranyl-11-methyl-1,2-dihydrochrysene-1,2-diol
MOLECULAR FORMULA: C19H15FO2
MOLECULAR WEIGHT: 294.319603
SMILES: CC1=C2C3=CC=CC=C3C(=CC2=C4C=C[C@H]([C@@H](C4=C1)O)O)F
Structure:
CAS RN: 12275-37-5
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 12281-85-5
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 13870-80-9
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 3685-42-5
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 49871-83-2
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 57666-58-7
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C12H16CuN6O4
MOLECULAR WEIGHT: 371.83924
SMILES: C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cu+2]
Structure:
CAS RN: 98476-01-8
CAS Name: N-(2-hydroxyethyl)-N-(2-oxoethyl)nitrous amide
OPENEYE Name: N-(2-hydroxyethyl)-N-(2-oxoethyl)nitrous amide
IUPAC Name: N-(2-hydroxyethyl)-N-(2-oxoethyl)nitrous amide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-N-(2-oxidanylideneethyl)nitrous amide
MOLECULAR FORMULA: C4H8N2O3
MOLECULAR WEIGHT: 132.11792
SMILES: C(CO)N(CC=O)N=O
Structure:
CAS RN: 984-65-6
CAS Name: (2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
OPENEYE Name: (2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
IUPAC Name: (2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
SYSTEMATIC NAME: (2R)-3-[2-[(2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C[C@@H]1CC[C@@]2([C@@H](C1(C)CCC3=CC(=O)O[C@H]3O)CCC=C2C)C
Structure:
CAS RN: 98449-05-9
CAS Name: (2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)-1-cyclohex-3-enone
OPENEYE Name: (2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one
IUPAC Name: (2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one
SYSTEMATIC NAME: (2R,5S,6S)-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]-2,6-bis(oxidanyl)cyclohex-3-en-1-one
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1=CC(=CC=C1N[C@H]2C=C([C@H](C(=O)[C@H]2O)O)CO)[N+](=O)[O-]
Structure:
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