CAS RN: 135017-04-8
CAS Name: 2-[[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylamino]ethylamino]-(methylamino)methylidene]propanedinitrile
OPENEYE Name: 2-[[2-[[5-[(dimethylamino)methyl]-2-furyl]methylamino]ethylamino]-(methylamino)methylene]propanedinitrile
IUPAC Name: 2-[[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethylamino]-(methylamino)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethylamino]-(methylamino)methylidene]propanedinitrile
MOLECULAR FORMULA: C15H22N6O
MOLECULAR WEIGHT: 302.37478
SMILES: CNC(=C(C#N)C#N)NCCNCC1=CC=C(O1)CN(C)C
Structure:
CAS RN: 135017-03-7
CAS Name: (E)-N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylamino]ethyl]-N1-methyl-2-nitroethene-1,1-diamine
OPENEYE Name: (E)-N1'-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylamino]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine
IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
SYSTEMATIC NAME: (E)-N1'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine
MOLECULAR FORMULA: C13H23N5O3
MOLECULAR WEIGHT: 297.35342
SMILES: CN/C(=C\[N+](=O)[O-])/NCCNCC1=CC=C(O1)CN(C)C
Structure:
CAS RN: 134987-47-6
CAS Name: 1-[5-fluoro-2-[(3-methoxyphenyl)thio]phenyl]-N,N-dimethylmethanamine hydrochloride
OPENEYE Name: 1-[5-fluoro-2-(3-methoxyphenyl)sulfanyl-phenyl]-N,N-dimethyl-methanamine hydrochloride
IUPAC Name: 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine hydrochloride
SYSTEMATIC NAME: 1-[5-fluoranyl-2-(3-methoxyphenyl)sulfanyl-phenyl]-N,N-dimethyl-methanamine hydrochloride
MOLECULAR FORMULA: C16H19ClFNOS
MOLECULAR WEIGHT: 327.844563
SMILES: CN(C)CC1=C(C=CC(=C1)F)SC2=CC=CC(=C2)OC.Cl
Structure:
CAS RN: 134987-46-5
CAS Name: 1-[4-fluoro-2-[(3-methoxyphenyl)thio]phenyl]-N,N-dimethylmethanamine hydrochloride
OPENEYE Name: 1-[4-fluoro-2-(3-methoxyphenyl)sulfanyl-phenyl]-N,N-dimethyl-methanamine hydrochloride
IUPAC Name: 1-[4-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine hydrochloride
SYSTEMATIC NAME: 1-[4-fluoranyl-2-(3-methoxyphenyl)sulfanyl-phenyl]-N,N-dimethyl-methanamine hydrochloride
MOLECULAR FORMULA: C16H19ClFNOS
MOLECULAR WEIGHT: 327.844563
SMILES: CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)OC.Cl
Structure:
CAS RN: 134981-39-8
CAS Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate; ruthenium(1+)
OPENEYE Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate; ruthenium(1+)
IUPAC Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate; ruthenium(1+)
SYSTEMATIC NAME: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate; ruthenium(1+)
MOLECULAR FORMULA: C10H15N5O13P3Ru
MOLECULAR WEIGHT: 607.243083
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O.[Ru+]
Structure:
CAS RN: 134937-78-3
CAS Name: N-(2,6-dichlorophenyl)-2-(2-imino-3-methyl-1-benzimidazolyl)acetamide hydrochloride
OPENEYE Name: N-(2,6-dichlorophenyl)-2-(2-imino-3-methyl-benzimidazol-1-yl)acetamide hydrochloride
IUPAC Name: N-(2,6-dichlorophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(2-azanylidene-3-methyl-benzimidazol-1-yl)-N-[2,6-bis(chloranyl)phenyl]ethanamide hydrochloride
MOLECULAR FORMULA: C16H15Cl3N4O
MOLECULAR WEIGHT: 385.6755
SMILES: CN1C2=CC=CC=C2N(C1=N)CC(=O)NC3=C(C=CC=C3Cl)Cl.Cl
Structure:
CAS RN: 134895-20-8
CAS Name: 4-[[2-furanyl-[(2-methyl-4-oxo-3-quinazolinyl)azo]methylidene]amino]benzoic acid
OPENEYE Name: 4-[[2-furyl-(2-methyl-4-oxo-quinazolin-3-yl)azo-methylene]amino]benzoic acid
IUPAC Name: 4-[[furan-2-yl-[(2-methyl-4-oxoquinazolin-3-yl)diazenyl]methylidene]amino]benzoic acid
SYSTEMATIC NAME: 4-[[furan-2-yl-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)diazenyl]methylidene]amino]benzoic acid
MOLECULAR FORMULA: C21H15N5O4
MOLECULAR WEIGHT: 401.3749
SMILES: CC1=NC2=CC=CC=C2C(=O)N1N=NC(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CO4
Structure:
CAS RN: 134895-18-4
CAS Name: 4-[[2-furanyl-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]azomethylidene]amino]benzoic acid
OPENEYE Name: 4-[[2-furyl-[4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)phenyl]azo-methylene]amino]benzoic acid
IUPAC Name: 4-[[furan-2-yl-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]diazenyl]methylidene]amino]benzoic acid
SYSTEMATIC NAME: 4-[[furan-2-yl-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]diazenyl]methylidene]amino]benzoic acid
MOLECULAR FORMULA: C20H13N5O4S
MOLECULAR WEIGHT: 419.41332
SMILES: C1=COC(=C1)C(=NC2=CC=C(C=C2)C(=O)O)N=NC3=CC=C(C=C3)C4=NNC(=S)O4
Structure:
CAS RN: 134895-14-0
CAS Name: 4-[[(2-methyl-4-oxo-3-quinazolinyl)azo-phenylmethylidene]amino]benzoic acid
OPENEYE Name: 4-[[(2-methyl-4-oxo-quinazolin-3-yl)azo-phenyl-methylene]amino]benzoic acid
IUPAC Name: 4-[[[(2-methyl-4-oxoquinazolin-3-yl)diazenyl]-phenylmethylidene]amino]benzoic acid
SYSTEMATIC NAME: 4-[[[(2-methyl-4-oxidanylidene-quinazolin-3-yl)diazenyl]-phenyl-methylidene]amino]benzoic acid
MOLECULAR FORMULA: C23H17N5O3
MOLECULAR WEIGHT: 411.41278
SMILES: CC1=NC2=CC=CC=C2C(=O)N1N=NC(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
Structure:
CAS RN: 134885-74-8
CAS Name: potassium disodium 6-[[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: potassium disodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: potassium disodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: potassium disodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C42H59KNa2O16
MOLECULAR WEIGHT: 904.9861
SMILES: CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C.[Na+].[Na+].[K+]
Structure:
CAS RN: 134885-73-7
CAS Name: dipotassium sodium 6-[[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: dipotassium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: dipotassium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: dipotassium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C42H59K2NaO16
MOLECULAR WEIGHT: 921.09463
SMILES: CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C.[Na+].[K+].[K+]
Structure:
CAS RN: 134885-72-6
CAS Name: dilithium sodium 6-[[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: dilithium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: dilithium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: dilithium sodium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C42H59Li2NaO16
MOLECULAR WEIGHT: 856.78003
SMILES: [Li+].[Li+].CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C.[Na+]
Structure:
CAS RN: 134885-71-5
CAS Name: trilithium 6-[[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: trilithium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: trilithium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: trilithium 6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C42H59Li3O16
MOLECULAR WEIGHT: 840.73126
SMILES: [Li+].[Li+].[Li+].CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C
Structure:
CAS RN: 134871-18-4
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-azepanyl)propyl ester hydrochloride
OPENEYE Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C23H28Br2ClNO3
MOLECULAR WEIGHT: 561.73432
SMILES: C1CCCN(CC1)CCCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-17-3
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 2-(1-azepanyl)ethyl ester hydrochloride
OPENEYE Name: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Br2ClNO3
MOLECULAR WEIGHT: 547.70774
SMILES: C1CCCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-16-2
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(4-morpholinyl)propyl ester hydrochloride
OPENEYE Name: 3-morpholinopropyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 3-morpholin-4-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 3-morpholin-4-ylpropyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C21H24Br2ClNO4
MOLECULAR WEIGHT: 549.68056
SMILES: C1COCCN1CCCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-15-1
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H22Br2ClNO4
MOLECULAR WEIGHT: 535.65398
SMILES: C1COCCN1CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-14-0
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-piperidinyl)propyl ester hydrochloride
OPENEYE Name: 3-(1-piperidyl)propyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 3-piperidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 3-piperidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Br2ClNO3
MOLECULAR WEIGHT: 547.70774
SMILES: C1CCN(CC1)CCCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-13-9
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 2-(1-piperidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-(1-piperidyl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 2-piperidin-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 2-piperidin-1-ylethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C21H24Br2ClNO3
MOLECULAR WEIGHT: 533.68116
SMILES: C1CCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
CAS RN: 134871-12-8
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-pyrrolidinyl)propyl ester hydrochloride
OPENEYE Name: 3-pyrrolidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride
IUPAC Name: 3-pyrrolidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride
SYSTEMATIC NAME: 3-pyrrolidin-1-ylpropyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride
MOLECULAR FORMULA: C21H24Br2ClNO3
MOLECULAR WEIGHT: 533.68116
SMILES: C1CCN(C1)CCCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl
Structure:
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