CAS RN: 68780-34-7
CAS Name: 3-amino-1-cyclohexanecarboxylic acid (3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl) ester
OPENEYE Name: (3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl) 3-aminocyclohexanecarboxylate
IUPAC Name: (3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl) 3-aminocyclohexane-1-carboxylate
SYSTEMATIC NAME: [3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl] 3-azanylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C28H29NO9
MOLECULAR WEIGHT: 523.53116
SMILES: CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC(=O)C5CCCC(C5)N)O
Structure:
CAS RN: 78961-43-0
CAS Name: acetic acid [3-[4-(dimethylamino)phenyl]azophenyl]methyl ester
OPENEYE Name: [3-[4-(dimethylamino)phenyl]azophenyl]methyl acetate
IUPAC Name: [3-[[4-(dimethylamino)phenyl]diazenyl]phenyl]methyl acetate
SYSTEMATIC NAME: [3-[[4-(dimethylamino)phenyl]diazenyl]phenyl]methyl ethanoate
MOLECULAR FORMULA: C17H19N3O2
MOLECULAR WEIGHT: 297.35166
SMILES: CC(=O)OCC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 74920-71-1
CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium chloride
OPENEYE Name: 5-ethyl-6-phenyl-phenanthridin-5-ium chloride
IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium chloride
SYSTEMATIC NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium chloride
MOLECULAR FORMULA: C21H18ClN
MOLECULAR WEIGHT: 319.82732
SMILES: CC[N+]1=C(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4.[Cl-]
Structure:
CAS RN: 74861-79-3
CAS Name: N-[3-[4-(3-aminopropyl)-1-piperazinyl]propyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-amine
OPENEYE Name: N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-amine
IUPAC Name: N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-amine
SYSTEMATIC NAME: N-[3-[4-(3-azanylpropyl)piperazin-1-yl]propyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-amine
MOLECULAR FORMULA: C27H36N6O
MOLECULAR WEIGHT: 460.61434
SMILES: CC1=C2C(=CC3=C1C=CN=C3NCCCN4CCN(CC4)CCCN)C5=C(N2)C=CC(=C5)OC
Structure:
CAS RN: 78694-18-5
CAS Name: N-(1-hydroperoxybutyl)-N-methylnitrous amide
OPENEYE Name: N-(1-hydroperoxybutyl)-N-methyl-nitrous amide
IUPAC Name: N-(1-hydroperoxybutyl)-N-methylnitrous amide
SYSTEMATIC NAME: N-[1-(dioxidanyl)butyl]-N-methyl-nitrous amide
MOLECULAR FORMULA: C5H12N2O3
MOLECULAR WEIGHT: 148.16038
SMILES: CCCC(N(C)N=O)OO
Structure:
CAS RN: 74444-55-6
CAS Name: 3-azido-5-ethyl-6-phenyl-8-phenanthridin-5-iumamine
OPENEYE Name: 3-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-8-amine
IUPAC Name: 3-azido-5-ethyl-6-phenylphenanthridin-5-ium-8-amine
SYSTEMATIC NAME: 3-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-8-amine
MOLECULAR FORMULA: C21H18N5+
MOLECULAR WEIGHT: 340.40112
SMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N=[N+]=[N-]
Structure:
CAS RN: 78682-43-6
CAS Name: N-butyl-N-(hydroperoxymethyl)nitrous amide
OPENEYE Name: N-butyl-N-(hydroperoxymethyl)nitrous amide
IUPAC Name: N-butyl-N-(hydroperoxymethyl)nitrous amide
SYSTEMATIC NAME: N-butyl-N-(dioxidanylmethyl)nitrous amide
MOLECULAR FORMULA: C5H12N2O3
MOLECULAR WEIGHT: 148.16038
SMILES: CCCCN(COO)N=O
Structure:
CAS RN: 74444-53-4
CAS Name: 5-ethyl-6-phenyl-8-phenanthridin-5-iumamine
OPENEYE Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-8-amine
IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-8-amine
SYSTEMATIC NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium-8-amine
MOLECULAR FORMULA: C21H19N2+
MOLECULAR WEIGHT: 299.38896
SMILES: CC[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 105453-64-3
CAS Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
OPENEYE Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
IUPAC Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
SYSTEMATIC NAME: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=C[C@@H]([C@H]5O)O
Structure:
CAS RN: 105453-65-4
CAS Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
OPENEYE Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
IUPAC Name: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
SYSTEMATIC NAME: (3S,4S)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=C[C@@H]([C@H]5O)O
Structure:
CAS RN: 74612-12-7
CAS Name: 2-methylbenzene-1,4-diamine hydrochloride
OPENEYE Name: 2-methylbenzene-1,4-diamine hydrochloride
IUPAC Name: 2-methylbenzene-1,4-diamine hydrochloride
SYSTEMATIC NAME: 2-methylbenzene-1,4-diamine hydrochloride
MOLECULAR FORMULA: C7H11ClN2
MOLECULAR WEIGHT: 158.62864
SMILES: CC1=C(C=CC(=C1)N)N.Cl
Structure:
CAS RN: 7781-33-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H16O2
MOLECULAR WEIGHT: 336.38264
SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=C5C=C[C@@H]([C@H]6O)O
Structure:
CAS RN: 74020-12-5
CAS Name: 4-[2-(1,6-dimethyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]morpholine iodide
OPENEYE Name: 4-[2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]morpholine iodide
IUPAC Name: 4-[2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine iodide
SYSTEMATIC NAME: 4-[2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide
MOLECULAR FORMULA: C18H23IN2OS
MOLECULAR WEIGHT: 442.35749
SMILES: CC1=CC2=C(C=C1)[N+](=C(C=C2)C=C(N3CCOCC3)SC)C.[I-]
Structure:
CAS RN: 6134-78-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37N5O5
MOLECULAR WEIGHT: 547.64528
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Structure:
CAS RN: 77536-65-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H41N5O8S
MOLECULAR WEIGHT: 643.75094
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
Structure:
CAS RN: 133762-80-8
CAS Name: 1-(3-azido-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-(3-azido-2-hydroxy-propyl)-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-(3-azido-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(3-azido-2-oxidanyl-propyl)-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H11N5O3
MOLECULAR WEIGHT: 225.20464
SMILES: CC1=CN(C(=O)NC1=O)CC(CN=[N+]=[N-])O
Structure:
CAS RN: 145439-00-5
CAS Name: N-methyl-N-[1-methyl-5-[[methyl(nitroso)amino]-oxomethyl]-4-imidazolyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-methyl-N-[1-methyl-5-[methyl(nitroso)carbamoyl]imidazol-4-yl]carbamate
IUPAC Name: tert-butyl N-methyl-N-[1-methyl-5-[methyl(nitroso)carbamoyl]imidazol-4-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-methyl-N-[1-methyl-5-[methyl(nitroso)carbamoyl]imidazol-4-yl]carbamate
MOLECULAR FORMULA: C12H19N5O4
MOLECULAR WEIGHT: 297.31036
SMILES: CC(C)(C)OC(=O)N(C)C1=C(N(C=N1)C)C(=O)N(C)N=O
Structure:
CAS RN: 139304-28-2
CAS Name: N-[2-(5,8-dimethyl-9H-carbazol-4-yl)ethyl]-N-propyl-1-propanamine hydrochloride
OPENEYE Name: N-[2-(5,8-dimethyl-9H-carbazol-4-yl)ethyl]-N-propyl-propan-1-amine hydrochloride
IUPAC Name: N-[2-(5,8-dimethyl-9H-carbazol-4-yl)ethyl]-N-propylpropan-1-amine hydrochloride
SYSTEMATIC NAME: N-[2-(5,8-dimethyl-9H-carbazol-4-yl)ethyl]-N-propyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C22H31ClN2
MOLECULAR WEIGHT: 358.94794
SMILES: CCCN(CCC)CCC1=C2C(=CC=C1)NC3=C(C=CC(=C23)C)C.Cl
Structure:
CAS RN: 73912-90-0
CAS Name: N-[2-(hydroxyamino)-2-oxoethyl]nonanamide
OPENEYE Name: N-[2-(hydroxyamino)-2-oxo-ethyl]nonanamide
IUPAC Name: N-[2-(hydroxyamino)-2-oxoethyl]nonanamide
SYSTEMATIC NAME: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]nonanamide
MOLECULAR FORMULA: C11H22N2O3
MOLECULAR WEIGHT: 230.30398
SMILES: CCCCCCCCC(=O)NCC(=O)NO
Structure:
CAS RN: 73912-89-7
CAS Name: N-[2-(hydroxyamino)-2-oxoethyl]decanamide
OPENEYE Name: N-[2-(hydroxyamino)-2-oxo-ethyl]decanamide
IUPAC Name: N-[2-(hydroxyamino)-2-oxoethyl]decanamide
SYSTEMATIC NAME: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]decanamide
MOLECULAR FORMULA: C12H24N2O3
MOLECULAR WEIGHT: 244.33056
SMILES: CCCCCCCCCC(=O)NCC(=O)NO
Structure:
CAS RN: 73951-54-9
CAS Name: (2S)-2-[[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[(6R)-2-azanyl-5-methanoyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H23N7O7
MOLECULAR WEIGHT: 473.43932
SMILES: C1[C@H](N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 73912-88-6
CAS Name: N-[2-(hydroxyamino)-2-oxoethyl]dodecanamide
OPENEYE Name: N-[2-(hydroxyamino)-2-oxo-ethyl]dodecanamide
IUPAC Name: N-[2-(hydroxyamino)-2-oxoethyl]dodecanamide
SYSTEMATIC NAME: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]dodecanamide
MOLECULAR FORMULA: C14H28N2O3
MOLECULAR WEIGHT: 272.38372
SMILES: CCCCCCCCCCCC(=O)NCC(=O)NO
Structure:
CAS RN: 73529-25-6
CAS Name: 4-ethenylpyrene
OPENEYE Name: 4-vinylpyrene
IUPAC Name: 4-ethenylpyrene
SYSTEMATIC NAME: 4-ethenylpyrene
MOLECULAR FORMULA: C18H12
MOLECULAR WEIGHT: 228.28788
SMILES: C=CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3
Structure:
CAS RN: 73763-35-6
CAS Name: 1-[bis(2-chloroethyl)aminomethyl]-5-iodoindole-2,3-dione
OPENEYE Name: 1-[bis(2-chloroethyl)aminomethyl]-5-iodo-indoline-2,3-dione
IUPAC Name: 1-[bis(2-chloroethyl)aminomethyl]-5-iodoindole-2,3-dione
SYSTEMATIC NAME: 1-[bis(2-chloroethyl)aminomethyl]-5-iodanyl-indole-2,3-dione
MOLECULAR FORMULA: C13H13Cl2IN2O2
MOLECULAR WEIGHT: 427.06499
SMILES: C1=CC2=C(C=C1I)C(=O)C(=O)N2CN(CCCl)CCCl
Structure:
CAS RN: 76404-05-2
CAS Name: (4-hydrazinylphenyl)methanol
OPENEYE Name: (4-hydrazinophenyl)methanol
IUPAC Name: (4-hydrazinylphenyl)methanol
SYSTEMATIC NAME: (4-diazanylphenyl)methanol
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: C1=CC(=CC=C1CO)NN
Structure:
CAS RN: 73239-98-2
CAS Name: 2-methoxy-2,6-dimethyl-4-nitrosomorpholine
OPENEYE Name: 2-methoxy-2,6-dimethyl-4-nitroso-morpholine
IUPAC Name: 2-methoxy-2,6-dimethyl-4-nitrosomorpholine
SYSTEMATIC NAME: 2-methoxy-2,6-dimethyl-4-nitroso-morpholine
MOLECULAR FORMULA: C7H14N2O3
MOLECULAR WEIGHT: 174.19766
SMILES: CC1CN(CC(O1)(C)OC)N=O
Structure:
CAS RN: 39070-63-8
CAS Name: (3,4-diaminophenyl)-phenylmethanone
OPENEYE Name: (3,4-diaminophenyl)-phenyl-methanone
IUPAC Name: (3,4-diaminophenyl)-phenylmethanone
SYSTEMATIC NAME: [3,4-bis(azanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N
Structure:
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