CAS RN: 74228-80-1
CAS Name: [hydroxy(phosphonooxy)phosphoryl] [(2R,3R,4S)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
OPENEYE Name: [hydroxy(phosphonooxy)phosphoryl] [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-pentyl] hydrogen phosphate
IUPAC Name: [hydroxy(phosphonooxy)phosphoryl] [(2R,3R,4S)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
SYSTEMATIC NAME: [oxidanyl(phosphonooxy)phosphoryl] [(2R,3R,4S)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] hydrogen phosphate
MOLECULAR FORMULA: C5H13O14P3
MOLECULAR WEIGHT: 390.069603
SMILES: C([C@H]([C@H]([C@@H](C=O)O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 7755-28-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CC1=C(C(=O)C2=C(C1=O)N3[C@@H]4[C@@H](N4C)C[C@@]3(C2=C)OC)N
Structure:
CAS RN: 7767-86-4
CAS Name: 3-(4-morpholinyl)propanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholinopropanoate
IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
SYSTEMATIC NAME: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
MOLECULAR FORMULA: C15H26N2O3
MOLECULAR WEIGHT: 282.37854
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CCN3CCOCC3
Structure:
CAS RN: 74143-01-4
CAS Name: 3-(4-morpholinyl)propanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholinopropanoate
IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
SYSTEMATIC NAME: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
MOLECULAR FORMULA: C15H26N2O3
MOLECULAR WEIGHT: 282.37854
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CCN3CCOCC3
Structure:
CAS RN: 77548-27-7
CAS Name: (2S)-2-amino-5-[4-[3-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]propylamino]butylamino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[4-[3-[[(4S)-4-amino-4-carboxy-butanoyl]amino]propylamino]butylamino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[4-[3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propylamino]butylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[4-[3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propylamino]butylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C17H33N5O6
MOLECULAR WEIGHT: 403.47382
SMILES: C(CCNC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CC[C@@H](C(=O)O)N
Structure:
CAS RN: 74045-97-9
CAS Name: (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyl-2-oxiranyl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
OPENEYE Name: (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
IUPAC Name: (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
SYSTEMATIC NAME: (2R)-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-10-oxidanyl-1,2-dihydrofuro[2,3-c]xanthen-6-one
MOLECULAR FORMULA: C19H16O6
MOLECULAR WEIGHT: 340.32674
SMILES: C[C@@]1(CO1)[C@H]2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
Structure:
CAS RN: 55368-40-6
CAS Name: 4-[5-(4-carbamimidoylphenyl)-2-furanyl]benzenecarboximidamide
OPENEYE Name: 4-[5-(4-carbamimidoylphenyl)-2-furyl]benzamidine
IUPAC Name: 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide
SYSTEMATIC NAME: 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide
MOLECULAR FORMULA: C18H16N4O
MOLECULAR WEIGHT: 304.34584
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N
Structure:
CAS RN: 75135-41-0
CAS Name: (3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
OPENEYE Name: (3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (3R,4S,5S)-2-(7-azanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12ClN5O3
MOLECULAR WEIGHT: 285.68698
SMILES: C1=NC2=C(NN=C2C(=N1)N)C3[C@@H]([C@@H]([C@H](O3)CCl)O)O
Structure:
CAS RN: 139163-12-5
CAS Name: 3,5-dibromo-6,7-dihydro-5H-1,2-benzoxazol-4-one
OPENEYE Name: 3,5-dibromo-6,7-dihydro-5H-1,2-benzoxazol-4-one
IUPAC Name: 3,5-dibromo-6,7-dihydro-5H-1,2-benzoxazol-4-one
SYSTEMATIC NAME: 3,5-bis(bromanyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
MOLECULAR FORMULA: C7H5Br2NO2
MOLECULAR WEIGHT: 294.9281
SMILES: C1CC2=C(C(=O)C1Br)C(=NO2)Br
Structure:
CAS RN: 139159-01-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H33NO8
MOLECULAR WEIGHT: 451.51002
SMILES: CC(C)CCC(=O)O[C@@H]1[C@H]([C@H]2CO[C@@H]([C@@H]3[C@@H]([C@H](CN3)O)O[C@@H]1O2)C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 139158-99-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23NO7
MOLECULAR WEIGHT: 353.36702
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H]([C@H](CN3)O)O[C@H]4[C@@H]([C@H]([C@H](O4)CO2)O)O
Structure:
CAS RN: 139067-63-3
CAS Name: acetic acid [(1R,2R)-2-hydroxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] ester
OPENEYE Name: [(1R,2R)-2-hydroxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenyl-ethyl] acetate
IUPAC Name: [(1R,2R)-2-hydroxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] acetate
SYSTEMATIC NAME: [(1R,2R)-2-oxidanyl-1-[(2R)-6-oxidanylidene-2,3-dihydropyran-2-yl]-2-phenyl-ethyl] ethanoate
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: CC(=O)O[C@@H]([C@H]1CC=CC(=O)O1)[C@@H](C2=CC=CC=C2)O
Structure:
CAS RN: 139039-74-0
CAS Name: 6-(3-acetamidoanilino)-2-naphthalenesulfonic acid
OPENEYE Name: 6-(3-acetamidoanilino)naphthalene-2-sulfonic acid
IUPAC Name: 6-(3-acetamidoanilino)naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-[(3-acetamidophenyl)amino]naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C18H16N2O4S
MOLECULAR WEIGHT: 356.39564
SMILES: CC(=O)NC1=CC=CC(=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O
Structure:
CAS RN: 139036-51-4
CAS Name: 6-methyl-2-(2-methyl-1-cyclohex-2-enyl)-2H-pyran-5-one
OPENEYE Name: 6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
IUPAC Name: 6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
SYSTEMATIC NAME: 6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC1C(=O)C=CC(O1)C2CCCC=C2C
Structure:
CAS RN: 138968-86-2
CAS Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
OPENEYE Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
IUPAC Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
SYSTEMATIC NAME: 13,13-dimethyl-1,7,9,11-tetrakis(oxidanyl)-8-oxidanylidene-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
MOLECULAR FORMULA: C30H30O7
MOLECULAR WEIGHT: 502.555
SMILES: CCCCCC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)C(C5=CC(=CC(=C5C4=O)O)O)(C)C)O)O)C(=O)O
Structure:
CAS RN: 138968-85-1
CAS Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-2-benzo[a]tetracenecarboxylic acid
OPENEYE Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid
IUPAC Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid
SYSTEMATIC NAME: 13,13-dimethyl-1,7,9,11-tetrakis(oxidanyl)-8-oxidanylidene-3-pentyl-benzo[a]tetracene-2-carboxylic acid
MOLECULAR FORMULA: C30H28O7
MOLECULAR WEIGHT: 500.53912
SMILES: CCCCCC1=C(C(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(C5=CC(=CC(=C5C4=O)O)O)(C)C)O)O)C(=O)O
Structure:
CAS RN: 138898-74-5
CAS Name: 19-octacosynoic acid
OPENEYE Name: octacos-19-ynoic acid
IUPAC Name: octacos-19-ynoic acid
SYSTEMATIC NAME: octacos-19-ynoic acid
MOLECULAR FORMULA: C28H52O2
MOLECULAR WEIGHT: 420.71128
SMILES: CCCCCCCCC#CCCCCCCCCCCCCCCCCCC(=O)O
Structure:
CAS RN: 138835-35-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H10N2O2
MOLECULAR WEIGHT: 298.2949
SMILES: C1=CC=C2C(=C1)C3=C4C(=N2)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3
Structure:
CAS RN: 138772-59-5
CAS Name: acetic acid 2-[[(cyanoamino)-(3-pyridinyl)methylidene]amino]ethyl ester
OPENEYE Name: 2-[[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl acetate
IUPAC Name: 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate
SYSTEMATIC NAME: 2-[[(cyanoamino)-pyridin-3-yl-methylidene]amino]ethyl ethanoate
MOLECULAR FORMULA: C11H12N4O2
MOLECULAR WEIGHT: 232.23858
SMILES: CC(=O)OCCN=C(C1=CN=CC=C1)NC#N
Structure:
CAS RN: 138748-39-7
CAS Name: 2-[[1-oxo-2-(4-sulfooxyphenyl)ethyl]amino]-2-propenoic acid
OPENEYE Name: 2-[[2-(4-sulfooxyphenyl)acetyl]amino]prop-2-enoic acid
IUPAC Name: 2-[[2-(4-sulfooxyphenyl)acetyl]amino]prop-2-enoic acid
SYSTEMATIC NAME: 2-[2-(4-sulfooxyphenyl)ethanoylamino]prop-2-enoic acid
MOLECULAR FORMULA: C11H11NO7S
MOLECULAR WEIGHT: 301.27254
SMILES: C=C(C(=O)O)NC(=O)CC1=CC=C(C=C1)OS(=O)(=O)O
Structure:
CAS RN: 138705-61-0
CAS Name: 2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
IUPAC Name: 2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 254.28386
SMILES: C1CN=C(N1)C2COC3=CC4=CC=CC=C4C=C3O2
Structure:
CAS RN: 138531-34-7
CAS Name: 2-(4-oxo-2-phenyl-1-benzopyran-8-yl)acetic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 2-(4-oxo-2-phenyl-chromen-8-yl)acetate
IUPAC Name: 2-(dimethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-(4-oxidanylidene-2-phenyl-chromen-8-yl)ethanoate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CN(C)CCOC(=O)CC1=CC=CC2=C1OC(=CC2=O)C3=CC=CC=C3
Structure:
CAS RN: 138370-14-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H19NO9
MOLECULAR WEIGHT: 513.45176
SMILES: CC1=C(C(=O)C2C3=CC=CC=C3C4C1(C2(C5=CC(=C6C(=C5N4)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O)O
Structure:
CAS RN: 138370-13-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H21NO9
MOLECULAR WEIGHT: 515.46764
SMILES: CC1C(=O)C(C2C3=CC=CC=C3C4C1(C2(C5=CC(=C6C(=C5N4)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O)O
Structure:
CAS RN: 138370-12-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H23NO10
MOLECULAR WEIGHT: 545.49362
SMILES: CC1C(=O)C(C2C3=C(C=CC=C3O)C4C1(C2(C5=CC(=C6C(=C5N4)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O)O)OC
Structure:
CAS RN: 138356-08-8
CAS Name: 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]ethanamine
OPENEYE Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
IUPAC Name: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
MOLECULAR FORMULA: C15H22Cl2N2
MOLECULAR WEIGHT: 301.25458
SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2
Structure:
CAS RN: 138230-20-3
CAS Name: 2-[(6-amino-9-methoxy-3-acridinyl)amino]ethanol
OPENEYE Name: 2-[(6-amino-9-methoxy-acridin-3-yl)amino]ethanol
IUPAC Name: 2-[(6-amino-9-methoxyacridin-3-yl)amino]ethanol
SYSTEMATIC NAME: 2-[(6-azanyl-9-methoxy-acridin-3-yl)amino]ethanol
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: COC1=C2C=CC(=CC2=NC3=C1C=CC(=C3)N)NCCO
Structure:
CAS RN: 138199-51-6
CAS Name: 2-amino-2-(2H-tetrazol-5-yl)acetic acid
OPENEYE Name: 2-amino-2-(2H-tetrazol-5-yl)acetic acid
IUPAC Name: 2-amino-2-(2H-tetrazol-5-yl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(2H-1,2,3,4-tetrazol-5-yl)ethanoic acid
MOLECULAR FORMULA: C3H5N5O2
MOLECULAR WEIGHT: 143.1041
SMILES: C1(=NNN=N1)C(C(=O)O)N
Structure:
CAS RN: 138172-12-0
CAS Name: (2S,3S,4S,5R)-2-(iodanylmethyl)-5-(2-nitro-1-imidazolyl)oxolane-3,4-diol
OPENEYE Name: (2S,3S,4S,5R)-2-(iodanylmethyl)-5-(2-nitroimidazol-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3S,4S,5R)-2-(iodanylmethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3S,4S,5R)-2-(iodanylmethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C8H10IN3O5
MOLECULAR WEIGHT: 353.086724
SMILES: C1=CN(C(=N1)[N+](=O)[O-])[C@H]2[C@H]([C@@H]([C@H](O2)C[125I])O)O
Structure:
CAS RN: 138143-24-5
CAS Name: 1-pyrenecarbonyl fluoride
OPENEYE Name: pyrene-1-carbonyl fluoride
IUPAC Name: pyrene-1-carbonyl fluoride
SYSTEMATIC NAME: pyrene-1-carbonyl fluoride
MOLECULAR FORMULA: C17H9FO
MOLECULAR WEIGHT: 248.251163
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)F
Structure:
CAS RN: 765-47-9
CAS Name: (10R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[[(10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]-oxomethyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxam
OPENEYE Name: (10R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]-1-hydroxy-ethyl]phenoxy]-2-hydroxy-propyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
IUPAC Name: (10R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
SYSTEMATIC NAME: (10R)-N-[3-[4-[2-[[(10R)-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]carbonylamino]-1-oxidanyl-ethyl]-2,6-bis(bromanyl)phenoxy]-2-oxidanyl-propyl]-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6
MOLECULAR FORMULA: C31H30Br6N4O11
MOLECULAR WEIGHT: 1114.0141
SMILES: COC1=C([C@@H](C2(CC(=NO2)C(=O)NCC(COC3=C(C=C(C=C3Br)C(CNC(=O)C4=NOC5(C4)C=C(C(=C([C@@H]5O)Br)OC)Br)O)Br)O)C=C1Br)O)Br
Structure:
CAS RN: 72389-06-1
CAS Name: 4-[(4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl)oxy]-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
OPENEYE Name: 4-(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name: 4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
SYSTEMATIC NAME: 3-methoxy-4-[3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione
MOLECULAR FORMULA: C27H28O12
MOLECULAR WEIGHT: 544.50402
SMILES: CC1C(C(C(C(O1)OC2C(C(C(=O)C3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)OC)OC)O)O
Structure:
CAS RN: 93772-67-9
CAS Name: (2R,3S)-3-[(4-methyl-1-piperazinyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
OPENEYE Name: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
IUPAC Name: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
SYSTEMATIC NAME: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
MOLECULAR FORMULA: C21H27Cl2N3OS
MOLECULAR WEIGHT: 440.42958
SMILES: CN1CCN(CC1)C[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 72293-40-4
CAS Name: (2R,3S)-3-[(4-methyl-1-piperazinyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
OPENEYE Name: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
IUPAC Name: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
SYSTEMATIC NAME: (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one dihydrochloride
MOLECULAR FORMULA: C21H27Cl2N3OS
MOLECULAR WEIGHT: 440.42958
SMILES: CN1CCN(CC1)C[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 72256-31-6
CAS Name: 10-methoxy-7-methyl-2-[2-(1-piperidinyl)ethyl]pyrido[4,3-c]carbazol-2-ium diacetate
OPENEYE Name: 10-methoxy-7-methyl-2-[2-(1-piperidyl)ethyl]pyrido[4,3-c]carbazol-2-ium diacetate
IUPAC Name: 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium diacetate
SYSTEMATIC NAME: 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium diethanoate
MOLECULAR FORMULA: C52H62N6O6
MOLECULAR WEIGHT: 867.08528
SMILES: CC(=O)[O-].CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5.CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5
Structure:
CAS RN: 73466-15-6
CAS Name: (2S)-2-amino-3-methyl-3-(nitrosothio)butanoic acid
OPENEYE Name: (2S)-2-amino-3-methyl-3-nitrososulfanyl-butanoic acid
IUPAC Name: (2S)-2-amino-3-methyl-3-nitrososulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-methyl-3-nitrososulfanyl-butanoic acid
MOLECULAR FORMULA: C5H10N2O3S
MOLECULAR WEIGHT: 178.2095
SMILES: CC(C)([C@H](C(=O)O)N)SN=O
Structure:
CAS RN: 73438-63-8
CAS Name: 3-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidinyl)propyl]benzenecarboximidamide
OPENEYE Name: 3-[3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]benzamidine
IUPAC Name: 3-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
SYSTEMATIC NAME: 3-[2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide
MOLECULAR FORMULA: C22H28N4O3S
MOLECULAR WEIGHT: 428.54772
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCCC3
Structure:
CAS RN: 15567-82-5
CAS Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
OPENEYE Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
IUPAC Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H18Cl2N2+2
MOLECULAR WEIGHT: 225.15862
SMILES: C1C[N+]2(CC[N+]1(C2)CCCl)CCCl
Structure:
CAS RN: 7481-90-5
CAS Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
OPENEYE Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxo-butanoic acid
IUPAC Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
SYSTEMATIC NAME: (2R,3R)-2,4-bis(azanyl)-3-fluoranyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C4H7FN2O3
MOLECULAR WEIGHT: 150.108383
SMILES: [C@H]([C@H](C(=O)N)F)(C(=O)O)N
Structure:
CAS RN: 72016-54-7
CAS Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
OPENEYE Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxo-butanoic acid
IUPAC Name: (2R,3R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
SYSTEMATIC NAME: (2R,3R)-2,4-bis(azanyl)-3-fluoranyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C4H7FN2O3
MOLECULAR WEIGHT: 150.108383
SMILES: [C@H]([C@H](C(=O)N)F)(C(=O)O)N
Structure:
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