CAS RN: 125386-83-6
CAS Name: 7-hydroxy-3-(2-hydroxyethyl)-4-quinazolinone
OPENEYE Name: 7-hydroxy-3-(2-hydroxyethyl)quinazolin-4-one
IUPAC Name: 7-hydroxy-3-(2-hydroxyethyl)quinazolin-4-one
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-7-oxidanyl-quinazolin-4-one
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1=CC2=C(C=C1O)N=CN(C2=O)CCO
Structure:
CAS RN: 125110-14-7
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trihydrate
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trihydrate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trihydrate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-hydroxy-2-oxoethyloxyimino)ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trihydrate
MOLECULAR FORMULA: C16H21N5O10S2
MOLECULAR WEIGHT: 507.49544
SMILES: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O.O.O.O
Structure:
CAS RN: 124727-02-2
CAS Name: 7-hydroxy-8-[(2R)-2-hydroxy-3-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-[(2R)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl]chromen-2-one
IUPAC Name: 7-hydroxy-8-[(2R)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]chromen-2-one
SYSTEMATIC NAME: 8-[(2R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-2-oxidanyl-butyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C20H26O10
MOLECULAR WEIGHT: 426.41444
SMILES: CC(C)([C@@H](CC1=C(C=CC2=C1OC(=O)C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 124499-99-6
CAS Name: (17S,18S)-18-[2-(2-aminoethylamino)ethyl]-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
OPENEYE Name: (17S,18S)-18-[2-(2-aminoethylamino)ethyl]-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
IUPAC Name: (17S,18S)-18-[2-(2-aminoethylamino)ethyl]-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: (17S,18S)-18-[2-(2-azanylethylamino)ethyl]-12-ethenyl-7-ethyl-20-(2-hydroxy-2-oxoethyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C35H42N6O4
MOLECULAR WEIGHT: 610.74578
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCNCCN)CC(=O)O)C(=O)O)C
Structure:
CAS RN: 121962-99-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25NO5
MOLECULAR WEIGHT: 383.4376
SMILES: CC(=O)O[C@@]12CCC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CC6CC6
Structure:
CAS RN: 121245-72-5
CAS Name: 3,4-dimethyl-6-nitro-N1-pentan-3-ylbenzene-1,2-diamine
OPENEYE Name: N1-(1-ethylpropyl)-3,4-dimethyl-6-nitro-benzene-1,2-diamine
IUPAC Name: 3,4-dimethyl-6-nitro-1-N-pentan-3-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3,4-dimethyl-6-nitro-N1-pentan-3-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H21N3O2
MOLECULAR WEIGHT: 251.32474
SMILES: CCC(CC)NC1=C(C=C(C(=C1N)C)C)[N+](=O)[O-]
Structure:
CAS RN: 120396-54-5
CAS Name: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
OPENEYE Name: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
IUPAC Name: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
SYSTEMATIC NAME: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
MOLECULAR FORMULA: C24H32O8
MOLECULAR WEIGHT: 448.50608
SMILES: COC[C@H](CC1=CC2=C(C(=C1)OC)OCO2)[C@@H](CC3=CC(=C(C(=C3)OC)O)OC)COC
Structure:
CAS RN: 120336-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1CC(=O)N2C3=CC(=O)C=CC3=C4C2=C1NCC4
Structure:
CAS RN: 132915-54-9
CAS Name: 1,3,8-trihydroxy-2-methoxy-11-benzofuro[2,3-b][1]benzopyranone
OPENEYE Name: 1,3,8-trihydroxy-2-methoxy-benzofuro[2,3-b]chromen-11-one
IUPAC Name: 1,3,8-trihydroxy-2-methoxy-[1]benzofuro[2,3-b]chromen-11-one
SYSTEMATIC NAME: 2-methoxy-1,3,8-tris(oxidanyl)-[1]benzofuro[2,3-b]chromen-11-one
MOLECULAR FORMULA: C16H10O7
MOLECULAR WEIGHT: 314.2464
SMILES: COC1=C(C=C2C(=C1O)C(=O)C3=C(O2)OC4=C3C=CC(=C4)O)O
Structure:
CAS RN: 132915-53-8
CAS Name: 1,3,7-trihydroxy-11-benzofuro[2,3-b][1]benzopyranone
OPENEYE Name: 1,3,7-trihydroxybenzofuro[2,3-b]chromen-11-one
IUPAC Name: 1,3,7-trihydroxy-[1]benzofuro[2,3-b]chromen-11-one
SYSTEMATIC NAME: 1,3,7-tris(oxidanyl)-[1]benzofuro[2,3-b]chromen-11-one
MOLECULAR FORMULA: C15H8O6
MOLECULAR WEIGHT: 284.22042
SMILES: C1=CC2=C(C(=C1)O)OC3=C2C(=O)C4=C(C=C(C=C4O3)O)O
Structure:
CAS RN: 132915-51-6
CAS Name: 1,3-dihydroxy-2-methoxy-11-benzofuro[2,3-b][1]benzopyranone
OPENEYE Name: 1,3-dihydroxy-2-methoxy-benzofuro[2,3-b]chromen-11-one
IUPAC Name: 1,3-dihydroxy-2-methoxy-[1]benzofuro[2,3-b]chromen-11-one
SYSTEMATIC NAME: 2-methoxy-1,3-bis(oxidanyl)-[1]benzofuro[2,3-b]chromen-11-one
MOLECULAR FORMULA: C16H10O6
MOLECULAR WEIGHT: 298.247
SMILES: COC1=C(C=C2C(=C1O)C(=O)C3=C(O2)OC4=CC=CC=C43)O
Structure:
CAS RN: 132915-50-5
CAS Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)-6-methoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)-6-methoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)-6-methoxychromen-4-one
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=CC=C3O)O
Structure:
CAS RN: 132915-49-2
CAS Name: 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one
IUPAC Name: 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)-6,7-dimethoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=CC=C3O)O)OC
Structure:
CAS RN: 132898-05-6
CAS Name: 5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
OPENEYE Name: 5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
IUPAC Name: 5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
SYSTEMATIC NAME: 5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
MOLECULAR FORMULA: C8H10N4
MOLECULAR WEIGHT: 162.1918
SMILES: CC1=CC(=NC2=C1NC(=N2)N)C
Structure:
CAS RN: 132758-33-9
CAS Name: (3Z)-3-[1-(decylamino)propylidene]-6-hydroxy-5-(1-oxopropyl)pyran-2,4-dione
OPENEYE Name: (3Z)-3-[1-(decylamino)propylidene]-6-hydroxy-5-propanoyl-pyran-2,4-dione
IUPAC Name: (3Z)-3-[1-(decylamino)propylidene]-6-hydroxy-5-propanoylpyran-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[1-(decylamino)propylidene]-6-oxidanyl-5-propanoyl-pyran-2,4-dione
MOLECULAR FORMULA: C21H33NO5
MOLECULAR WEIGHT: 379.49042
SMILES: CCCCCCCCCCN/C(=C\1/C(=O)C(=C(OC1=O)O)C(=O)CC)/CC
Structure:
CAS RN: 132758-29-3
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenylbutylamino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenylbutylamino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenylbutylamino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-(4-phenylbutylamino)ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NCCCCC2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 132758-28-2
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(3-phenylpropylamino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(3-phenylpropylamino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(3-phenylpropylamino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-(3-phenylpropylamino)ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C18H19NO5
MOLECULAR WEIGHT: 329.34716
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NCCCC2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 132758-27-1
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(2-phenylethylamino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(2-phenylethylamino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(2-phenylethylamino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-(2-phenylethylamino)ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C17H17NO5
MOLECULAR WEIGHT: 315.32058
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NCCC2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 132758-26-0
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenoxyanilino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenoxyanilino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-phenoxyanilino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-[(4-phenoxyphenyl)amino]ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C21H17NO6
MOLECULAR WEIGHT: 379.36278
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NC2=CC=C(C=C2)OC3=CC=CC=C3)/C1=O)O
Structure:
CAS RN: 132758-25-9
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-propylanilino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-propylanilino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(4-propylanilino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-[(4-propylphenyl)amino]ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C18H19NO5
MOLECULAR WEIGHT: 329.34716
SMILES: CCCC1=CC=C(C=C1)N/C(=C\2/C(=O)C(=C(OC2=O)O)C(=O)C)/C
Structure:
CAS RN: 132758-21-5
CAS Name: (3Z)-5-acetyl-3-[1-(dodecylamino)ethylidene]-6-hydroxypyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-3-[1-(dodecylamino)ethylidene]-6-hydroxy-pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-3-[1-(dodecylamino)ethylidene]-6-hydroxypyran-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[1-(dodecylamino)ethylidene]-5-ethanoyl-6-oxidanyl-pyran-2,4-dione
MOLECULAR FORMULA: C21H33NO5
MOLECULAR WEIGHT: 379.49042
SMILES: CCCCCCCCCCCCN/C(=C\1/C(=O)C(=C(OC1=O)O)C(=O)C)/C
Structure:
CAS RN: 132758-20-4
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(undecylamino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(undecylamino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(undecylamino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-(undecylamino)ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C20H31NO5
MOLECULAR WEIGHT: 365.46384
SMILES: CCCCCCCCCCCN/C(=C\1/C(=O)C(=C(OC1=O)O)C(=O)C)/C
Structure:
CAS RN: 132758-19-1
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(nonylamino)ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(nonylamino)ethylidene]pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-6-hydroxy-3-[1-(nonylamino)ethylidene]pyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-3-[1-(nonylamino)ethylidene]-6-oxidanyl-pyran-2,4-dione
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: CCCCCCCCCN/C(=C\1/C(=O)C(=C(OC1=O)O)C(=O)C)/C
Structure:
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