Product OPENEYE NAME: 1-isopropylsulfonyl-6-(2-methyl-5-phenyl-1H-imidazol-4-yl)benzimidazol-2-amine; methanesulfonic acid
CAS Name: methanesulfonic acid; 6-(2-methyl-5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonyl-2-benzimidazolamine
IUPAC NAME: methanesulfonic acid; 6-(2-methyl-5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
SYSTEMATIC NAME: methanesulfonic acid; 6-(2-methyl-5-phenyl-1H-imidazol-4-yl)-1-propan-2-ylsulfonyl-benzimidazol-2-amine
MOLECULAR FORMULA: C21H25N5O5S2
MOLECULAR WEIGHT: 491.5837
SMILES: CC1=NC(=C(N1)C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(N4S(=O)(=O)C(C)C)N.CS(=O)(=O)O
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Product OPENEYE NAME: 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-isopropylsulfonyl-benzimidazol-2-amine
CAS Name: 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-propan-2-ylsulfonyl-2-benzimidazolamine
IUPAC NAME: 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-propan-2-ylsulfonylbenzimidazol-2-amine
SYSTEMATIC NAME: 6-[2-[2,6-bis(fluoranyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-propan-2-ylsulfonyl-benzimidazol-2-amine
MOLECULAR FORMULA: C27H25F2N5O2S
MOLECULAR WEIGHT: 521.581506
SMILES: CCNC1=NC2=C(N1S(=O)(=O)C(C)C)C=C(C=C2)C3=C(NC(=N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5
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Product OPENEYE NAME: tert-butyl N-[(5S)-6-[2-[[4-[2-[[(2S)-2,6-bis(tert-butoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylamino]-5-(tert-butoxycarbonylamino)-6-oxo-hexyl]carbamate
CAS Name: N-[(2S)-1-[2-[[4-[2-[[(2S)-2,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[2-[[4-[2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate
MOLECULAR FORMULA: C50H76N8O12
MOLECULAR WEIGHT: 981.18484
SMILES: CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3C2=O)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: [(3S,4R)-4-(4-chlorophenyl)-1-tetrahydropyran-4-yl-pyrrolidin-3-yl]-[4-[2-[(1S)-1-(dimethylamino)-2-methyl-propyl]-4-methyl-phenyl]piperazin-1-yl]methanone
CAS Name: [(3S,4R)-4-(4-chlorophenyl)-1-(4-oxanyl)-3-pyrrolidinyl]-[4-[2-[(1S)-1-(dimethylamino)-2-methylpropyl]-4-methylphenyl]-1-piperazinyl]methanone
IUPAC NAME: [(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-[4-[2-[(1S)-1-(dimethylamino)-2-methylpropyl]-4-methylphenyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-[4-[2-[(1S)-1-(dimethylamino)-2-methyl-propyl]-4-methyl-phenyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C33H47ClN4O2
MOLECULAR WEIGHT: 567.20488
SMILES: CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=CC=C(C=C4)Cl)C5CCOCC5)[C@H](C(C)C)N(C)C
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-6-amino-hexanamide
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-6
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanamid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-6-azan
MOLECULAR FORMULA: C44H70N14O8
MOLECULAR WEIGHT: 923.1156
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C
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Product OPENEYE NAME: 1-[[4-(4-methyl-3-thienyl)phenyl]methyl]imidazole
CAS Name: 1-[[4-(4-methyl-3-thiophenyl)phenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(4-methylthiophen-3-yl)phenyl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(4-methylthiophen-3-yl)phenyl]methyl]imidazole
MOLECULAR FORMULA: C15H14N2S
MOLECULAR WEIGHT: 254.35006
SMILES: CC1=CSC=C1C2=CC=C(C=C2)CN3C=CN=C3
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Product OPENEYE NAME: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxo-butyl]phosphonic acid
CAS Name: [(3S)-4-(1H-indol-3-yl)-2-oxo-3-(1-oxohexadecylamino)butyl]phosphonic acid
IUPAC NAME: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxobutyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxidanylidene-butyl]phosphonic acid
MOLECULAR FORMULA: C28H45N2O5P
MOLECULAR WEIGHT: 520.641061
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)CP(=O)(O)O
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Product OPENEYE NAME: [(3S)-3-(hexadecanoylamino)-2-hydroxy-butyl]phosphonic acid
CAS Name: [(3S)-2-hydroxy-3-(1-oxohexadecylamino)butyl]phosphonic acid
IUPAC NAME: [(3S)-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-3-(hexadecanoylamino)-2-oxidanyl-butyl]phosphonic acid
MOLECULAR FORMULA: C20H42NO5P
MOLECULAR WEIGHT: 407.524941
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(CP(=O)(O)O)O
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Product OPENEYE NAME: [(3S)-3-(hexadecanoylamino)-4-methyl-2-oxo-pentyl]phosphonic acid
CAS Name: [(3S)-4-methyl-2-oxo-3-(1-oxohexadecylamino)pentyl]phosphonic acid
IUPAC NAME: [(3S)-3-(hexadecanoylamino)-4-methyl-2-oxopentyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-3-(hexadecanoylamino)-4-methyl-2-oxidanylidene-pentyl]phosphonic acid
MOLECULAR FORMULA: C22H44NO5P
MOLECULAR WEIGHT: 433.562221
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)CP(=O)(O)O
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Product OPENEYE NAME: 1-[[4-(3-furyl)phenyl]methyl]imidazole
CAS Name: 1-[[4-(3-furanyl)phenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(furan-3-yl)phenyl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(furan-3-yl)phenyl]methyl]imidazole
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: C1=CC(=CC=C1CN2C=CN=C2)C3=COC=C3
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Product OPENEYE NAME: [3-(hexadecanoylamino)-2-hydroxy-propyl]phosphonic acid
CAS Name: [2-hydroxy-3-(1-oxohexadecylamino)propyl]phosphonic acid
IUPAC NAME: [3-(hexadecanoylamino)-2-hydroxypropyl]phosphonic acid
SYSTEMATIC NAME: [3-(hexadecanoylamino)-2-oxidanyl-propyl]phosphonic acid
MOLECULAR FORMULA: C19H40NO5P
MOLECULAR WEIGHT: 393.498361
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(CP(=O)(O)O)O
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Product OPENEYE NAME: [(3S)-3-(hexadecanoylamino)-2-oxo-butyl]phosphonic acid
CAS Name: [(3S)-2-oxo-3-(1-oxohexadecylamino)butyl]phosphonic acid
IUPAC NAME: [(3S)-3-(hexadecanoylamino)-2-oxobutyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-3-(hexadecanoylamino)-2-oxidanylidene-butyl]phosphonic acid
MOLECULAR FORMULA: C20H40NO5P
MOLECULAR WEIGHT: 405.509061
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)CP(=O)(O)O
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Product OPENEYE NAME: 4-[(2-methylsulfanylthiazolo[5,4-b]quinolin-9-yl)amino]benzonitrile
CAS Name: 4-[[2-(methylthio)-9-thiazolo[5,4-b]quinolinyl]amino]benzonitrile
IUPAC NAME: 4-[(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)amino]benzonitrile
SYSTEMATIC NAME: 4-[(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)amino]benzenecarbonitrile
MOLECULAR FORMULA: C18H12N4S2
MOLECULAR WEIGHT: 348.44468
SMILES: CSC1=NC2=C(C3=CC=CC=C3N=C2S1)NC4=CC=C(C=C4)C#N
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Product OPENEYE NAME: N-(4-methoxyphenyl)-2-methylsulfanyl-thiazolo[5,4-b]quinolin-9-amine
CAS Name: N-(4-methoxyphenyl)-2-(methylthio)-9-thiazolo[5,4-b]quinolinamine
IUPAC NAME: N-(4-methoxyphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-amine
MOLECULAR FORMULA: C18H15N3OS2
MOLECULAR WEIGHT: 353.4612
SMILES: COC1=CC=C(C=C1)NC2=C3C(=NC4=CC=CC=C42)SC(=N3)SC
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Product OPENEYE NAME: (2R)-2-(2,5-dimethyloxazol-4-yl)-2-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-N,N-dimethyl-acetamide
CAS Name: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-2-(2,5-dimethyl-4-oxazolyl)-N,N-dimethylacetamide
IUPAC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(2,5-dimethyl-1,3-oxazol-4-yl)-N,N-dimethylacetamide
SYSTEMATIC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-2-(2,5-dimethyl-1,3-oxazol-4-yl)-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C26H34N4O4
MOLECULAR WEIGHT: 466.57256
SMILES: CC1=C(N=C(O1)C)[C@H](C(=O)N(C)C)N2[C@@H](C(=O)N[C@@H](C2=O)C3CC4=CC=CC=C4C3)CC(C)C
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Product OPENEYE NAME: 6-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienyl]-4-methoxy-3-methyl-5-propyl-1H-pyridin-2-one
CAS Name: 6-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-4-methoxy-3-methyl-5-propyl-1H-pyridin-2-one
IUPAC NAME: 6-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-4-methoxy-3-methyl-5-propyl-1H-pyridin-2-one
SYSTEMATIC NAME: 6-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienyl]-4-methoxy-3-methyl-5-propyl-1H-pyridin-2-one
MOLECULAR FORMULA: C20H31NO3
MOLECULAR WEIGHT: 333.46504
SMILES: CCCC1=C(NC(=O)C(=C1OC)C)C/C=C(\C)/C/C=C/C(C)(C)O
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Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-3,5-diphenyl-tetrazol-2-ium chloride
CAS Name: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C26H21ClN4O
MOLECULAR WEIGHT: 440.92414
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 2-(4-benzyloxyphenyl)-3,5-diphenyl-tetrazol-2-ium
CAS Name: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium
IUPAC NAME: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2,5-diphenyl-3-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C26H21N4O+
MOLECULAR WEIGHT: 405.47114
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 2,5-bis(4-benzyloxyphenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
IUPAC NAME: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)tetrazol-3-ium chloride
SYSTEMATIC NAME: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C33H27ClN4O2
MOLECULAR WEIGHT: 547.04608
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
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Product OPENEYE NAME: 2,5-bis(4-benzyloxyphenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)tetrazol-3-ium
IUPAC NAME: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)tetrazol-3-ium
SYSTEMATIC NAME: 2-phenyl-3,5-bis(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C33H27N4O2+
MOLECULAR WEIGHT: 511.59308
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2,3-diphenyl-tetrazol-2-ium chloride
CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-diphenyltetrazol-2-ium chloride
IUPAC NAME: 5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-diphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 5-(3-methoxy-4-phenylmethoxy-phenyl)-2,3-diphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C27H23ClN4O2
MOLECULAR WEIGHT: 470.95012
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2,3-diphenyl-tetrazol-2-ium
CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-diphenyltetrazol-2-ium
IUPAC NAME: 5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-diphenyltetrazol-2-ium
SYSTEMATIC NAME: 5-(3-methoxy-4-phenylmethoxy-phenyl)-2,3-diphenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C27H23N4O2+
MOLECULAR WEIGHT: 435.49712
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5
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