Product OPENEYE NAME: 4-(hydroxymethyl)-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-(hydroxymethyl)-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-(hydroxymethyl)-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C23H23N5O2
MOLECULAR WEIGHT: 401.46102
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO
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Product OPENEYE NAME: 5-chloro-2-(trichloromethyl)oxazolo[4,5-h]quinoline
CAS Name: 5-chloro-2-(trichloromethyl)oxazolo[4,5-h]quinoline
IUPAC NAME: 5-chloro-2-(trichloromethyl)-[1,3]oxazolo[4,5-h]quinoline
SYSTEMATIC NAME: 5-chloranyl-2-(trichloromethyl)-[1,3]oxazolo[4,5-h]quinoline
MOLECULAR FORMULA: C11H4Cl4N2O
MOLECULAR WEIGHT: 321.97426
SMILES: C1=CC2=C(C=C3C(=C2N=C1)OC(=N3)C(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: 2-[4-[(3,5-dimethylisoxazol-4-yl)-(4-isopropylphenyl)methyl]piperazin-1-yl]ethanol
CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethanol
IUPAC NAME: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C21H31N3O2
MOLECULAR WEIGHT: 357.48974
SMILES: CC1=C(C(=NO1)C)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)CCO
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Product OPENEYE NAME: 1-ethyl-6-fluoro-7-oxazol-4-yl-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-ethyl-6-fluoro-7-(4-oxazolyl)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-ethyl-6-fluoro-7-(1,3-oxazol-4-yl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-7-(1,3-oxazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C15H11FN2O4
MOLECULAR WEIGHT: 302.257243
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=COC=N3)F)C(=O)O
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Product OPENEYE NAME: 5-[(4-isopropylphenyl)-(1-methyl-4-piperidylidene)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(1-methyl-4-piperidinylidene)-(4-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C20H26N2S
MOLECULAR WEIGHT: 326.49884
SMILES: CC1=NSC(=C1)C(=C2CCN(CC2)C)C3=CC=C(C=C3)C(C)C
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Product OPENEYE NAME: 7-(2-aminooxazol-4-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-(2-amino-4-oxazolyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-(2-amino-1,3-oxazol-4-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(2-azanyl-1,3-oxazol-4-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C15H12FN3O4
MOLECULAR WEIGHT: 317.271883
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=COC(=N3)N)F)C(=O)O
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Product OPENEYE NAME: 1-ethyl-6-fluoro-7-(2-methyloxazol-4-yl)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-ethyl-6-fluoro-7-(2-methyl-4-oxazolyl)-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-ethyl-6-fluoro-7-(2-methyl-1,3-oxazol-4-yl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-7-(2-methyl-1,3-oxazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C16H13FN2O4
MOLECULAR WEIGHT: 316.283823
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=COC(=N3)C)F)C(=O)O
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Product OPENEYE NAME: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
IUPAC NAME: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[(E)-pent-1-enyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CCC/C=C/C1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
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Product OPENEYE NAME: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(Z)-1-methylprop-1-enyl]pyrimidine-2,4-dione
CAS Name: 5-[(Z)-but-2-en-2-yl]-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 5-[(Z)-but-2-en-2-yl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(Z)-but-2-en-2-yl]-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H18N2O5
MOLECULAR WEIGHT: 282.29242
SMILES: C/C=C(/C)\C1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
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Product OPENEYE NAME: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-methylprop-1-enyl)pyrimidine-2,4-dione
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(2-methylprop-1-enyl)pyrimidine-2,4-dione
IUPAC NAME: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-1-enyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-methylprop-1-enyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H18N2O5
MOLECULAR WEIGHT: 282.29242
SMILES: CC(=CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O)C
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Product OPENEYE NAME: (2S)-2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-3-phenyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-phenyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]propanoic acid
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: ethyl 6-hydroxy-7-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 6-hydroxy-7-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-hydroxy-7-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(hydroxymethyl)-6-oxidanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C13H13NO5
MOLECULAR WEIGHT: 263.24602
SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)O)CO
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Product OPENEYE NAME: N-[2-[[(1S)-5-amino-1-(2-anilino-2-oxo-acetyl)pentyl]amino]-2-oxo-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
CAS Name: N-[2-[[(3S)-7-amino-1-anilino-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-[(2-cyanophenyl)thio]-N-methylbenzamide
IUPAC NAME: N-[2-[[(3S)-7-amino-1-anilino-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
SYSTEMATIC NAME: N-[2-[[(3S)-7-azanyl-1,2-bis(oxidanylidene)-1-phenylazanyl-heptan-3-yl]amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
MOLECULAR FORMULA: C30H31N5O4S
MOLECULAR WEIGHT: 557.66324
SMILES: CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NC1=CC=CC=C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C83H34O6
MOLECULAR WEIGHT: 1127.15446
SMILES: C1COCCOCCOC2=C(C=CC(=C2)C3(C45C36C7=C8C9=C2C3=C7C7=C4CC4=C5C5=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C(=C2C2=C%19C%18=C%18C%16=C%14C%14=C%12C%12=C%10C%10=C5C6=C8C5=C%10C6=C(C%19=C%18C%14=C6%12)C5=C29)C2C3C7=C3CC(=C%15C3=C2%17)C%13=C4%11)C2=CC=CC=C2)OCCOC
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Product OPENEYE NAME: 2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-(6-methoxy-2-naphthyl)propanoylamino]propanoyl]amino]acetyl]amino]acetic acid
CAS Name: 2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid
IUPAC NAME: 2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]propanoyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]propanoyl]amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C27H29N3O7
MOLECULAR WEIGHT: 507.53506
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)NCC(=O)O
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Product OPENEYE NAME: ethyl 6-[3-[5-(3-furyl)-3-oxo-pentyl]-2,6-dioxo-3-piperidyl]-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 6-[3-[5-(3-furanyl)-3-oxopentyl]-2,6-dioxo-3-piperidinyl]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[3-[5-(furan-3-yl)-3-oxopentyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[3-[5-(furan-3-yl)-3-oxidanylidene-pentyl]-2,6-bis(oxidanylidene)piperidin-3-yl]-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C26H26N2O7
MOLECULAR WEIGHT: 478.49384
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C3(CCC(=O)NC3=O)CCC(=O)CCC4=COC=C4
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Product OPENEYE NAME: methyl (2S)-6-amino-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]hexanoate
CAS Name: (2S)-6-amino-2-[[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-oxomethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl (2S)-6-amino-2-[[(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]hexanoate
SYSTEMATIC NAME: methyl (2S)-6-azanyl-2-[[(1R,3S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]carbonylamino]hexanoate
MOLECULAR FORMULA: C27H34N4O6
MOLECULAR WEIGHT: 510.58206
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)N[C@@H](CCCCN)C(=O)OC)C4=CC=CC=C4N3
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