CAS RN: 74195-57-6
CAS Name: 2-[(2-oxo-1H-pyrimidin-6-yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetate
IUPAC Name: ethyl 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(2-oxidanylidene-1H-pyrimidin-6-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C8H10N2O3S
MOLECULAR WEIGHT: 214.2416
SMILES: CCOC(=O)CSC1=CC=NC(=O)N1
Structure:
CAS RN: 120166-31-6
CAS Name: (5S,5aR)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride
OPENEYE Name: (5S,5aR)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride
IUPAC Name: (5S,5aR)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride
SYSTEMATIC NAME: (5S,5aR)-5-(2-azanylethoxy)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride
MOLECULAR FORMULA: C23H26ClNO8
MOLECULAR WEIGHT: 479.90744
SMILES: COC1=CC(=CC(=C1O)OC)C2C3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OCCN.Cl
Structure:
CAS RN: 908827-56-5
CAS Name: 4-[2-[(3,4-dioxo-1-naphthalenyl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide
OPENEYE Name: 4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide
IUPAC Name: 4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide
SYSTEMATIC NAME: 4-[2-[[3,4-bis(oxidanylidene)naphthalen-1-yl]amino]phenyl]-2,4-bis(oxidanylidene)-N-[3-(trifluoromethyl)phenyl]butanamide
MOLECULAR FORMULA: C27H17F3N2O5
MOLECULAR WEIGHT: 506.42949
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F
Structure:
CAS RN: 154094-89-0
CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-2-(2-nitro-1-imidazolyl)acetamide
OPENEYE Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-(2-nitroimidazol-1-yl)acetamide
IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-2-(2-nitroimidazol-1-yl)acetamide
SYSTEMATIC NAME: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C11H13N7O5
MOLECULAR WEIGHT: 323.26482
SMILES: CC1=NC=C(N1CCNC(=O)CN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 154094-96-9
CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)-N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]acetamide
OPENEYE Name: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]acetamide
IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-(2-methyl-5-nitro-imidazol-1-yl)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]ethanamide
MOLECULAR FORMULA: C12H15N7O5
MOLECULAR WEIGHT: 337.2914
SMILES: CC1=NC=C(N1CCNC(=O)CN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]
Structure:
CAS RN: 165121-46-0
CAS Name: N-(4-sulfamoylphenyl)-4-acridinecarboxamide
OPENEYE Name: N-(4-sulfamoylphenyl)acridine-4-carboxamide
IUPAC Name: N-(4-sulfamoylphenyl)acridine-4-carboxamide
SYSTEMATIC NAME: N-(4-sulfamoylphenyl)acridine-4-carboxamide
MOLECULAR FORMULA: C20H15N3O3S
MOLECULAR WEIGHT: 377.4164
SMILES: C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
Structure:
CAS RN: 4519-39-5
CAS Name: 2,3-difluorobenzoic acid
OPENEYE Name: 2,3-difluorobenzoic acid
IUPAC Name: 2,3-difluorobenzoic acid
SYSTEMATIC NAME: 2,3-bis(fluoranyl)benzoic acid
MOLECULAR FORMULA: C7H4F2O2
MOLECULAR WEIGHT: 158.102266
SMILES: C1=CC(=C(C(=C1)F)F)C(=O)O
Structure:
CAS RN: 86690-14-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12O5
MOLECULAR WEIGHT: 332.30628
SMILES: C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4
Structure:
CAS RN: 88054-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12O5
MOLECULAR WEIGHT: 332.30628
SMILES: C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4
Structure:
CAS RN: 87069-98-5
CAS Name: (3aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one
OPENEYE Name: (3aR)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one
IUPAC Name: (3aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
SYSTEMATIC NAME: (3aR)-6-methoxy-9-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: COC1=C(C=C2C(C3COC(=O)[C@@H]3CC2=C1)C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 129298-91-5
CAS Name: N-(2-chloro-1-oxoethyl)carbamic acid [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl] ester
OPENEYE Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
IUPAC Name: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
SYSTEMATIC NAME: [(3R,6R,7S,8S)-7-methoxy-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloranylethanoyl)carbamate
MOLECULAR FORMULA: C19H28ClNO6
MOLECULAR WEIGHT: 401.88172
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C
Structure:
CAS RN: 138355-96-1
CAS Name: 4-[[(4S,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-4-yl]amino]benzonitrile
OPENEYE Name: 4-[[(4S,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-4-yl]amino]benzonitrile
IUPAC Name: 4-[[(4S,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzonitrile
SYSTEMATIC NAME: 4-[[(4S,9aR)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-6,7-dimethoxy-1-oxidanylidene-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C29H28N2O7
MOLECULAR WEIGHT: 516.54182
SMILES: COC1=CC(=CC(=C1O)OC)C2[C@@H]3C(COC3=O)[C@@H](C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)C#N
Structure:
CAS RN: 907559-57-3
CAS Name: 4-(2-benzoyl-4-chloroanilino)naphthalene-1,2-dione
OPENEYE Name: 4-(2-benzoyl-4-chloro-anilino)naphthalene-1,2-dione
IUPAC Name: 4-(2-benzoyl-4-chloroanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C23H14ClNO3
MOLECULAR WEIGHT: 387.81516
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=O)C(=O)C4=CC=CC=C43
Structure:
CAS RN: 7114-11-6
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O
Structure:
CAS RN: 6991-10-2
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O
Structure:
CAS RN: 87068-90-4
CAS Name: (3aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one
OPENEYE Name: (3aS)-7-hydroxy-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one
IUPAC Name: (3aS)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
SYSTEMATIC NAME: (3aS)-6-methoxy-9-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: COC1=C(C=C2C(C3COC(=O)[C@H]3CC2=C1)C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 104869-32-1
CAS Name: 8-[[[4-methyl-3-[[[2-methyl-5-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid
OPENEYE Name: 8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
IUPAC Name: 8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
SYSTEMATIC NAME: 8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid
MOLECULAR FORMULA: C37H30N4O21S6
MOLECULAR WEIGHT: 1059.0383
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C
Structure:
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