CAS RN: 37026-92-9
CAS Name: tributyl(pentyl)ammonium bromide
OPENEYE Name: tributyl(pentyl)ammonium bromide
IUPAC Name: tributyl(pentyl)azanium bromide
SYSTEMATIC NAME: tributyl(pentyl)azanium bromide
MOLECULAR FORMULA: C17H38BrN
MOLECULAR WEIGHT: 336.39432
SMILES: CCCCC[N+](CCCC)(CCCC)CCCC.[Br-]
Structure:
CAS RN: 473921-12-9
CAS Name: 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile
OPENEYE Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
IUPAC Name: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
SYSTEMATIC NAME: 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
MOLECULAR FORMULA: C17H18N4O2
MOLECULAR WEIGHT: 310.35042
SMILES: CCC1=C(C(=NN1CCO)CC)OC2=CC(=CC(=C2)C#N)C#N
Structure:
CAS RN: 621-92-1
CAS Name: 4-[(phenylmethyl)amino]phenol hydrochloride
OPENEYE Name: 4-(benzylamino)phenol hydrochloride
IUPAC Name: 4-(benzylamino)phenol hydrochloride
SYSTEMATIC NAME: 4-[(phenylmethyl)amino]phenol hydrochloride
MOLECULAR FORMULA: C13H14ClNO
MOLECULAR WEIGHT: 235.70936
SMILES: C1=CC=C(C=C1)CNC2=CC=C(C=C2)O.Cl
Structure:
CAS RN: 884855-68-9
CAS Name: 4-bromo-1-methyl-3H-indol-2-one
OPENEYE Name: 4-bromo-1-methyl-indolin-2-one
IUPAC Name: 4-bromo-1-methyl-3H-indol-2-one
SYSTEMATIC NAME: 4-bromanyl-1-methyl-3H-indol-2-one
MOLECULAR FORMULA: C9H8BrNO
MOLECULAR WEIGHT: 226.06992
SMILES: CN1C(=O)CC2=C1C=CC=C2Br
Structure:
CAS RN: 938440-64-3
CAS Name: [5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)-7-pyrido[2,3-d]pyrimidinyl]-2-methoxyphenyl]methanol
OPENEYE Name: [5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholino-pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl]methanol
IUPAC Name: [5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
SYSTEMATIC NAME: [5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl]methanol
MOLECULAR FORMULA: C25H31N5O4
MOLECULAR WEIGHT: 465.54474
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=N2)N5CCOCC5
Structure:
CAS RN: 614-87-9
CAS Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
OPENEYE Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoyl-phenoxy)propoxy]benzamidine; 2-hydroxyethanesulfonic acid
IUPAC Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 3-bromanyl-4-[3-(2-bromanyl-4-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C21H30Br2N4O10S2
MOLECULAR WEIGHT: 722.4217
SMILES: C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
Structure:
CAS RN: 85938-54-1
CAS Name: N'-(3-aminopropyl)-N'-decylpropane-1,3-diamine
OPENEYE Name: N'-(3-aminopropyl)-N'-decyl-propane-1,3-diamine
IUPAC Name: N'-(3-aminopropyl)-N'-decylpropane-1,3-diamine
SYSTEMATIC NAME: N'-(3-azanylpropyl)-N'-decyl-propane-1,3-diamine
MOLECULAR FORMULA: C16H37N3
MOLECULAR WEIGHT: 271.48508
SMILES: CCCCCCCCCCN(CCCN)CCCN
Structure:
CAS RN: 849107-20-6
CAS Name: 4-(2-chlorophenoxy)piperidine hydrochloride
OPENEYE Name: 4-(2-chlorophenoxy)piperidine hydrochloride
IUPAC Name: 4-(2-chlorophenoxy)piperidine hydrochloride
SYSTEMATIC NAME: 4-(2-chloranylphenoxy)piperidine hydrochloride
MOLECULAR FORMULA: C11H15Cl2NO
MOLECULAR WEIGHT: 248.1489
SMILES: C1CNCCC1OC2=CC=CC=C2Cl.Cl
Structure:
CAS RN: 3623-02-7
CAS Name: 4-(2-fluorophenoxy)piperidine
OPENEYE Name: 4-(2-fluorophenoxy)piperidine
IUPAC Name: 4-(2-fluorophenoxy)piperidine
SYSTEMATIC NAME: 4-(2-fluoranylphenoxy)piperidine
MOLECULAR FORMULA: C11H14FNO
MOLECULAR WEIGHT: 195.233363
SMILES: C1CNCCC1OC2=CC=CC=C2F
Structure:
CAS RN: 94247-25-3
CAS Name: 16-methylheptadecanoic acid hexyl ester
OPENEYE Name: hexyl 16-methylheptadecanoate
IUPAC Name: hexyl 16-methylheptadecanoate
SYSTEMATIC NAME: hexyl 16-methylheptadecanoate
MOLECULAR FORMULA: C24H48O2
MOLECULAR WEIGHT: 368.63672
SMILES: CCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 869496-60-6
CAS Name: 3-(3-chlorophenyl)-5-isoxazolecarboxaldehyde
OPENEYE Name: 3-(3-chlorophenyl)isoxazole-5-carbaldehyde
IUPAC Name: 3-(3-chlorophenyl)-1,2-oxazole-5-carbaldehyde
SYSTEMATIC NAME: 3-(3-chlorophenyl)-1,2-oxazole-5-carbaldehyde
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC(=CC(=C1)Cl)C2=NOC(=C2)C=O
Structure:
CAS RN: 128985-17-1
CAS Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(5,5,5-trifluoropentyl)piperidine-3,4,5-triol
OPENEYE Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(5,5,5-trifluoropentyl)piperidine-3,4,5-triol
IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(5,5,5-trifluoropentyl)piperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5,5,5-tris(fluoranyl)pentyl]piperidine-3,4,5-triol
MOLECULAR FORMULA: C11H20F3NO4
MOLECULAR WEIGHT: 287.27601
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCC(F)(F)F)CO)O)O)O
Structure:
CAS RN: 128985-16-0
CAS Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-3,4,5-triol
OPENEYE Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-3,4,5-triol
IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[4,4,4-tris(fluoranyl)butyl]piperidine-3,4,5-triol
MOLECULAR FORMULA: C10H18F3NO4
MOLECULAR WEIGHT: 273.24943
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC(F)(F)F)CO)O)O)O
Structure:
CAS RN: 11089-65-9
CAS Name: (E)-N-[(2S,3R,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-5-methyl-2-hexenamide
OPENEYE Name: (E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-3-yl]-5
IUPAC Name: (E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-5-methylhex-2-enamide
SYSTEMATIC NAME: (E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxan-3-yl]-5-methyl
MOLECULAR FORMULA: C30H46N4O16
MOLECULAR WEIGHT: 718.70344
SMILES: CC(C)C/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O
Structure:
CAS RN: 41451-75-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O11
MOLECULAR WEIGHT: 548.57884
SMILES: CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
Structure:
CAS RN: 7665-99-8
CAS Name: 9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-2-amino-3H-purin-6-one
OPENEYE Name: 9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-3H-purin-6-one
IUPAC Name: 9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-3H-purin-6-one
SYSTEMATIC NAME: 9-[(4aR,6R,7R,7aS)-2-oxidanidyl-7-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-azanyl-3H-purin-6-one
MOLECULAR FORMULA: C10H11N5O7P-
MOLECULAR WEIGHT: 344.197401
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)[O-]
Structure:
CAS RN: 803712-79-0
CAS Name: (2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole; methanesulfonic acid
OPENEYE Name: (2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-ylidene]indole; methanesulfonic acid
IUPAC Name: (2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole; methanesulfonic acid
SYSTEMATIC NAME: (2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-pyrrol-2-ylidene]indole; methanesulfonic acid
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC1=CC(=C(N1)/C=C/2\C(=C/C(=C\3/C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O
Structure:
CAS RN: 945761-94-4
CAS Name: 7-iodo-1H-indazole
OPENEYE Name: 7-iodo-1H-indazole
IUPAC Name: 7-iodo-1H-indazole
SYSTEMATIC NAME: 7-iodanyl-1H-indazole
MOLECULAR FORMULA: C7H5IN2
MOLECULAR WEIGHT: 244.03247
SMILES: C1=CC2=C(C(=C1)I)NN=C2
Structure:
CAS RN: 36314-98-4
CAS Name: 2-amino-4-pyrimidinecarbonitrile
OPENEYE Name: 2-aminopyrimidine-4-carbonitrile
IUPAC Name: 2-aminopyrimidine-4-carbonitrile
SYSTEMATIC NAME: 2-azanylpyrimidine-4-carbonitrile
MOLECULAR FORMULA: C5H4N4
MOLECULAR WEIGHT: 120.11206
SMILES: C1=CN=C(N=C1C#N)N
Structure:
CAS RN: 103505-49-3
CAS Name: 6-chloro-N4-(4-chlorophenyl)pyrimidine-4,5-diamine
OPENEYE Name: 6-chloro-N4-(4-chlorophenyl)pyrimidine-4,5-diamine
IUPAC Name: 6-chloro-4-N-(4-chlorophenyl)pyrimidine-4,5-diamine
SYSTEMATIC NAME: 6-chloranyl-N4-(4-chlorophenyl)pyrimidine-4,5-diamine
MOLECULAR FORMULA: C10H8Cl2N4
MOLECULAR WEIGHT: 255.10332
SMILES: C1=CC(=CC=C1NC2=C(C(=NC=N2)Cl)N)Cl
Structure:
CAS RN: 858954-83-3
CAS Name: 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-amino-5-chloro-2-cyclopropyl-pyrimidine-4-carboxylate
IUPAC Name: methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SYSTEMATIC NAME: methyl 6-azanyl-5-chloranyl-2-cyclopropyl-pyrimidine-4-carboxylate
MOLECULAR FORMULA: C9H10ClN3O2
MOLECULAR WEIGHT: 227.6476
SMILES: COC(=O)C1=C(C(=NC(=N1)C2CC2)N)Cl
Structure:
CAS RN: 322637-47-8
CAS Name: 2-fluoro-2-propen-1-amine hydrochloride
OPENEYE Name: 2-fluoroprop-2-en-1-amine hydrochloride
IUPAC Name: 2-fluoroprop-2-en-1-amine hydrochloride
SYSTEMATIC NAME: 2-fluoranylprop-2-en-1-amine hydrochloride
MOLECULAR FORMULA: C3H7ClFN
MOLECULAR WEIGHT: 111.545783
SMILES: C=C(CN)F.Cl
Structure:
CAS RN: 131379-24-3
CAS Name: (Z)-9-undecenenitrile
OPENEYE Name: (Z)-undec-9-enenitrile
IUPAC Name: (Z)-undec-9-enenitrile
SYSTEMATIC NAME: (Z)-undec-9-enenitrile
MOLECULAR FORMULA: C11H19N
MOLECULAR WEIGHT: 165.27526
SMILES: C/C=C\CCCCCCCC#N
Structure:
CAS RN: 946578-00-3
CAS Name: [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-$l^{6}-sulfanylidene]cyanamide
OPENEYE Name: [methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridyl]ethyl]-$l^{6}-sulfanylidene]cyanamide
IUPAC Name: [methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide
SYSTEMATIC NAME: [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide
MOLECULAR FORMULA: C10H10F3N3OS
MOLECULAR WEIGHT: 277.26611
SMILES: CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C
Structure:
CAS RN: 936091-56-4
CAS Name: N-tert-butyl-3-[[5-methyl-2-[3-(4-morpholinylmethyl)anilino]-4-pyrimidinyl]amino]benzenesulfonamide
OPENEYE Name: N-tert-butyl-3-[[5-methyl-2-[3-(morpholinomethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-[[5-methyl-2-[[3-(morpholin-4-ylmethyl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C26H34N6O3S
MOLECULAR WEIGHT: 510.65156
SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
Structure:
CAS RN: 936091-26-8
CAS Name: N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide
OPENEYE Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-[[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C27H36N6O3S
MOLECULAR WEIGHT: 524.67814
SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
Structure:
CAS RN: 936091-15-5
CAS Name: N-tert-butyl-3-[[5-methyl-2-[4-(4-morpholinylmethyl)anilino]-4-pyrimidinyl]amino]benzenesulfonamide
OPENEYE Name: N-tert-butyl-3-[[5-methyl-2-[4-(morpholinomethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-[[5-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C26H34N6O3S
MOLECULAR WEIGHT: 510.65156
SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)CN4CCOCC4
Structure:
CAS RN: 936091-14-4
CAS Name: N-tert-butyl-3-[[5-methyl-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]benzenesulfonamide
OPENEYE Name: N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C26H35N7O2S
MOLECULAR WEIGHT: 509.6668
SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C
Structure:
CAS RN: 104715-85-7
CAS Name: 2-[[2-(4-butylanilino)-6-methoxy-9-purinyl]methoxy]ethanol hydrate
OPENEYE Name: 2-[[2-(4-butylanilino)-6-methoxy-purin-9-yl]methoxy]ethanol hydrate
IUPAC Name: 2-[[2-(4-butylanilino)-6-methoxypurin-9-yl]methoxy]ethanol hydrate
SYSTEMATIC NAME: 2-[[2-[(4-butylphenyl)amino]-6-methoxy-purin-9-yl]methoxy]ethanol hydrate
MOLECULAR FORMULA: C38H52N10O7
MOLECULAR WEIGHT: 760.88228
SMILES: CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3COCCO.CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3COCCO.O
Structure:
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