CAS RN: 108743-20-0
CAS Name: (2S)-2-[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]acetic acid
OPENEYE Name: (2S)-2-[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]acetic acid
IUPAC Name: (2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-2-[(5S)-3-chloranyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H20ClN9O4
MOLECULAR WEIGHT: 485.8837
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H]([C@@H]4CC(=NO4)Cl)C(=O)O
Structure:
CAS RN: 108736-00-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9NO3
MOLECULAR WEIGHT: 251.23686
SMILES: CC1=C2C(=CC3=C1OC(=O)C4=C3C=NC=C4)C=CO2
Structure:
CAS RN: 108711-80-4
CAS Name: 5-(2,2-difluoroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2,2-difluorovinyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(2,2-difluoroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[2,2-bis(fluoranyl)ethenyl]-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H12F2N2O5
MOLECULAR WEIGHT: 290.220186
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=C(F)F)CO)O
Structure:
CAS RN: 108708-01-6
CAS Name: 3-[bis(2-chloroethyl)amino]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-[bis(2-chloroethyl)amino]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-1-(4-butoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H24Cl2N2O3
MOLECULAR WEIGHT: 387.30076
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCCl)CCCl
Structure:
CAS RN: 108708-00-5
CAS Name: 3-[bis(2-chloroethyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-[bis(2-chloroethyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C15H18Cl2N2O3
MOLECULAR WEIGHT: 345.22102
SMILES: COC1=CC=CC=C1N2C(=O)CC(C2=O)N(CCCl)CCCl
Structure:
CAS RN: 108646-70-4
CAS Name: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
OPENEYE Name: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
IUPAC Name: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
SYSTEMATIC NAME: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
MOLECULAR FORMULA: C20H24O3
MOLECULAR WEIGHT: 312.40276
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CC(C4=C3C=CC(=C4)O)O
Structure:
CAS RN: 108354-43-4
CAS Name: 1,5-bis(2-oxiranyl)pentane-1,2,3,4,5-pentol
OPENEYE Name: 1,5-bis(oxiran-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: 1,5-bis(oxiran-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 1,5-bis(oxiran-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C9H16O7
MOLECULAR WEIGHT: 236.21914
SMILES: C1C(O1)C(C(C(C(C(C2CO2)O)O)O)O)O
Structure:
CAS RN: 107265-48-5
CAS Name: 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
OPENEYE Name: 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
IUPAC Name: 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
SYSTEMATIC NAME: 4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
MOLECULAR FORMULA: C18H30N4O2
MOLECULAR WEIGHT: 334.4564
SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 107174-40-3
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C24H27N5O6
MOLECULAR WEIGHT: 481.50108
SMILES: C#CCN(CC1CCC2=C(C1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 107140-32-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26N4O7
MOLECULAR WEIGHT: 470.47514
SMILES: COC1=C2C=C(C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC3=CC=C(O2)C=C3)C(=O)O)CC(=O)N)N)C=C1
Structure:
CAS RN: 107140-31-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N4O7
MOLECULAR WEIGHT: 456.44856
SMILES: C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=C(C=C2)OC3=C(C=CC1=C3)O)C(=O)O)CC(=O)N)N
Structure:
CAS RN: 106562-37-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N4
MOLECULAR WEIGHT: 478.67092
SMILES: CCCC1=CC2=NC1=CC=C3C(=CC(=N3)C4=CC(=C(N4)C=CC5=C(C=C2N5)CCC)CCC)CCC
Structure:
CAS RN: 105856-26-6
CAS Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
OPENEYE Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
SYSTEMATIC NAME: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
MOLECULAR FORMULA: C14H14Cl2F2N2Pt
MOLECULAR WEIGHT: 514.255166
SMILES: C1=CC(=CC=C1C(C(C2=CC=C(C=C2)F)N)N)F.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 105990-74-7
CAS Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
OPENEYE Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
SYSTEMATIC NAME: 1,2-bis(4-fluorophenyl)ethane-1,2-diamine; platinum(2+); dichloride
MOLECULAR FORMULA: C14H14Cl2F2N2Pt
MOLECULAR WEIGHT: 514.255166
SMILES: C1=CC(=CC=C1C(C(C2=CC=C(C=C2)F)N)N)F.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 105344-74-9
CAS Name: (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid 1-pyrenylmethyl ester
OPENEYE Name: pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
IUPAC Name: pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
SYSTEMATIC NAME: pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
MOLECULAR FORMULA: C39H44O3
MOLECULAR WEIGHT: 560.76486
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5
Structure:
CAS RN: 217087-09-7
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide trihydrate
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide trihydrate
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide trihydrate
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide trihydrate
MOLECULAR FORMULA: C34H42MgN6O9S2
MOLECULAR WEIGHT: 767.16708
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.O.O.O.[Mg+2]
Structure:
CAS RN: 95382-33-5
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 161973-10-0
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 202742-32-3
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 302841-07-2
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 320416-93-1
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
CAS RN: 371759-50-1
CAS Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide
IUPAC Name: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C34H36MgN6O6S2
MOLECULAR WEIGHT: 713.12124
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
Structure:
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