CAS RN: 151602-22-1
CAS Name: 5-(1-aziridinyl)-2-nitro-4-nitrosobenzamide
OPENEYE Name: 5-(aziridin-1-yl)-2-nitro-4-nitroso-benzamide
IUPAC Name: 5-(aziridin-1-yl)-2-nitro-4-nitrosobenzamide
SYSTEMATIC NAME: 5-(aziridin-1-yl)-2-nitro-4-nitroso-benzamide
MOLECULAR FORMULA: C9H8N4O4
MOLECULAR WEIGHT: 236.18422
SMILES: C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])N=O
Structure:
CAS RN: 151436-58-7
CAS Name: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
OPENEYE Name: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
IUPAC Name: 2-N,4-N-diethylpentane-2,4-diamine; platinum(2+); dichloride
SYSTEMATIC NAME: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
MOLECULAR FORMULA: C9H22Cl2N2Pt
MOLECULAR WEIGHT: 424.26838
SMILES: CCNC(C)CC(C)NCC.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 151526-57-7
CAS Name: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
OPENEYE Name: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
IUPAC Name: 2-N,4-N-diethylpentane-2,4-diamine; platinum(2+); dichloride
SYSTEMATIC NAME: N2,N4-diethylpentane-2,4-diamine; platinum(2+); dichloride
MOLECULAR FORMULA: C9H22Cl2N2Pt
MOLECULAR WEIGHT: 424.26838
SMILES: CCNC(C)CC(C)NCC.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 151077-62-2
CAS Name: 4-(2,5-dioxo-1-pyrrolyl)-N-[3-[3-(trifluoromethyl)-3-diazirinyl]phenyl]butanamide
OPENEYE Name: 4-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide
IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)-N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide
SYSTEMATIC NAME: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]butanamide
MOLECULAR FORMULA: C16H13F3N4O3
MOLECULAR WEIGHT: 366.29463
SMILES: C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C=CC2=O)C3(N=N3)C(F)(F)F
Structure:
CAS RN: 143234-78-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N6O6
MOLECULAR WEIGHT: 456.45186
SMILES: C1C2CN(CC2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 143000-05-9
CAS Name: 2-phenyl-3H-1,3,2-benzoxazaphosphorin-4-one
OPENEYE Name: 2-phenyl-3H-1,3,2-benzoxazaphosphinin-4-one
IUPAC Name: 2-phenyl-3H-1,3,2-benzoxazaphosphinin-4-one
SYSTEMATIC NAME: 2-phenyl-3H-1,3,2-benzoxazaphosphinin-4-one
MOLECULAR FORMULA: C13H10NO2P
MOLECULAR WEIGHT: 243.197761
SMILES: C1=CC=C(C=C1)P2NC(=O)C3=CC=CC=C3O2
Structure:
CAS RN: 142754-28-7
CAS Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxido-1-cyclohexanecarboxylate
OPENEYE Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxido-cyclohexanecarboxylate
IUPAC Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxidocyclohexane-1-carboxylate
SYSTEMATIC NAME: cyclohexane-1,2-diamine; 1-oxidanidyl-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylate; platinum(2+)
MOLECULAR FORMULA: C13H24N2O6Pt
MOLECULAR WEIGHT: 499.41746
SMILES: C1CCC(C(C1)N)N.C1C(C(C(CC1(C(=O)[O-])[O-])O)O)O.[Pt+2]
Structure:
CAS RN: 142928-30-1
CAS Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxido-1-cyclohexanecarboxylate
OPENEYE Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxido-cyclohexanecarboxylate
IUPAC Name: cyclohexane-1,2-diamine; platinum(2+); 3,4,5-trihydroxy-1-oxidocyclohexane-1-carboxylate
SYSTEMATIC NAME: cyclohexane-1,2-diamine; 1-oxidanidyl-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylate; platinum(2+)
MOLECULAR FORMULA: C13H24N2O6Pt
MOLECULAR WEIGHT: 499.41746
SMILES: C1CCC(C(C1)N)N.C1C(C(C(CC1(C(=O)[O-])[O-])O)O)O.[Pt+2]
Structure:
CAS RN: 142695-09-8
CAS Name: (4S,7S,12bR)-7-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
OPENEYE Name: (4S,7S,12bR)-6-oxo-7-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
IUPAC Name: (4S,7S,12bR)-6-oxo-7-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S,12bR)-6-oxidanylidene-7-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
MOLECULAR FORMULA: C24H26N2O4S
MOLECULAR WEIGHT: 438.53924
SMILES: C1C[C@@H]2C3=CC=CC=C3C[C@@H](C(=O)N2[C@@H](C1)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)S
Structure:
CAS RN: 142695-08-7
CAS Name: (4S,7S,12bR)-7-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
OPENEYE Name: (4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
IUPAC Name: (4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S,12bR)-7-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-6-oxidanylidene-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
MOLECULAR FORMULA: C26H28N2O5S
MOLECULAR WEIGHT: 480.57592
SMILES: CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CC3=CC=CC=C3[C@H]4CCC[C@H](N4C2=O)C(=O)O
Structure:
CAS RN: 142645-70-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C5CCCC34C5
Structure:
CAS RN: 114494-30-3
CAS Name: (2S,3R,4R,5R,6R)-5-acetyloxy-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-4-naphtho[1,2-c][2]benzopyranyl)-3-hydroxy-N,N,6-trimethyl-4-oxanamine oxide
OPENEYE Name: (2S,3R,4R,5R,6R)-5-acetoxy-3-hydroxy-2-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-naphtho[1,2-c]isochromen-4-yl)-N,N,6-trimethyl-tetrahydropyran-4-amine oxide
IUPAC Name: (2S,3R,4R,5R,6R)-5-acetyloxy-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
SYSTEMATIC NAME: (2S,3R,4R,5R,6R)-5-acetyloxy-2-(8-ethenyl-10,12-dimethoxy-1-oxidanyl-6-oxidanylidene-naphtho[1,2-c]isochromen-4-yl)-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide
MOLECULAR FORMULA: C31H33NO10
MOLECULAR WEIGHT: 579.59442
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=CC(=CC(=C54)OC)C=C)OC)O)[N+](C)(C)[O-])OC(=O)C
Structure:
CAS RN: 114414-79-8
CAS Name: 5,11-dimethylindolo[2,3-b]quinoline
OPENEYE Name: 5,11-dimethylindolo[2,3-b]quinoline
IUPAC Name: 5,11-dimethylindolo[2,3-b]quinoline
SYSTEMATIC NAME: 5,11-dimethylindolo[2,3-b]quinoline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: CC1=C2C3=CC=CC=C3N=C2N(C4=CC=CC=C14)C
Structure:
CAS RN: 113287-15-3
CAS Name: ammonia; cyclobutane-1,1-dicarboxylate; platinum(4+); dihydroxide
OPENEYE Name: ammonia; cyclobutane-1,1-dicarboxylate; platinum(4+); dihydroxide
IUPAC Name: azane; cyclobutane-1,1-dicarboxylate; platinum(4+); dihydroxide
SYSTEMATIC NAME: azane; cyclobutane-1,1-dicarboxylate; platinum(4+); dihydroxide
MOLECULAR FORMULA: C6H14N2O6Pt
MOLECULAR WEIGHT: 405.26316
SMILES: C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[OH-].[OH-].[Pt+4]
Structure:
CAS RN: 113122-50-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: CC1(CCC2C(=C1)C(=O)C3(C4C25CC5CCC4(C(=O)O3)C)O)C=C
Structure:
CAS RN: 113108-90-0
CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic ac
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C38H63NO9
MOLECULAR WEIGHT: 677.90812
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)C)C
Structure:
CAS RN: 112887-78-2
CAS Name: (2S)-2-[[oxo-[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[4-oxidanylidene-2-(trifluoromethyl)-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C25H21F3N4O6
MOLECULAR WEIGHT: 530.45265
SMILES: C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 113202-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21N3O9
MOLECULAR WEIGHT: 447.39544
SMILES: CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)C)C=O)N(C2)O3)COC(=O)N)OC(=O)C
Structure:
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