CAS RN: 70539-54-7
CAS Name: 2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C25H30Cl2N8O5
MOLECULAR WEIGHT: 593.4623
SMILES: CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)OCC)C(=O)OCC)Cl
Structure:
CAS RN: 78711-30-5
CAS Name: 2-amino-6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
OPENEYE Name: 2-amino-6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
IUPAC Name: 2-amino-6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: CC1=NC2=C(C=C1)NC(=NC2=O)N
Structure:
CAS RN: 60715-58-4
CAS Name: 8-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)-phenylmethyl]-5,7-dihydroxy-6-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 8-[(2,6-dihydroxy-4-methoxy-3-methyl-phenyl)-phenyl-methyl]-5,7-dihydroxy-6-methyl-2-phenyl-chroman-4-one
IUPAC Name: 8-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)-phenylmethyl]-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 8-[[4-methoxy-3-methyl-2,6-bis(oxidanyl)phenyl]-phenyl-methyl]-6-methyl-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C31H28O7
MOLECULAR WEIGHT: 512.54982
SMILES: CC1=C(C(=C(C=C1OC)O)C(C2=CC=CC=C2)C3=C(C(=C(C4=C3OC(CC4=O)C5=CC=CC=C5)O)C)O)O
Structure:
CAS RN: 64773-40-6
CAS Name: 1,1,2,2,2-pentafluoroethanesulfonyl chloride
OPENEYE Name: 1,1,2,2,2-pentafluoroethanesulfonyl chloride
IUPAC Name: 1,1,2,2,2-pentafluoroethanesulfonyl chloride
SYSTEMATIC NAME: 1,1,2,2,2-pentakis(fluoranyl)ethanesulfonyl chloride
MOLECULAR FORMULA: C2ClF5O2S
MOLECULAR WEIGHT: 218.530216
SMILES: C(C(F)(F)S(=O)(=O)Cl)(F)(F)F
Structure:
CAS RN: 60676-56-4
CAS Name: acetic acid [1-[3-(3-hydroxy-2-methyl-1,2'-dioxo-3'-spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]yl)-4-oxo-2-quinazolinyl]-2-methylpropyl] ester
OPENEYE Name: [1-[3-(3-hydroxy-2-methyl-1,2'-dioxo-spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl)-4-oxo-quinazolin-2-yl]-2-methyl-propyl] acetate
IUPAC Name: [1-[3-(3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
SYSTEMATIC NAME: [2-methyl-1-[3-[2-methyl-3-oxidanyl-1,2'-bis(oxidanylidene)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxidanylidene-quinazolin-2-yl]propyl] ethanoate
MOLECULAR FORMULA: C28H28N4O7
MOLECULAR WEIGHT: 532.54452
SMILES: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(C(C)C)OC(=O)C)C6=CC=CC=C62
Structure:
CAS RN: 77579-75-0
CAS Name: N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxoethox
OPENEYE Name: 2-[4-[1-ethyl-2-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazino]-2-oxo-ethoxy]phenyl]but-1-enyl]phenoxy]-N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclo
IUPAC Name: N-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxoethox
SYSTEMATIC NAME: N-[(10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]-2-[4-[4-[4-[2-[2-(10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)hydrazinyl]-2-oxidan
MOLECULAR FORMULA: C60H80N4O6
MOLECULAR WEIGHT: 953.3004
SMILES: CCC(=C(CC)C1=CC=C(C=C1)OCC(=O)NN=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5O)C)C)C6=CC=C(C=C6)OCC(=O)NN=C7CCC8(C9CCC1(C(C9CCC8=C7)CCC1O)C)C
Structure:
CAS RN: 423-60-9
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonyl chloride
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl chloride
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl chloride
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonyl chloride
MOLECULAR FORMULA: C8ClF17O2S
MOLECULAR WEIGHT: 518.575254
SMILES: C(C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 2991-84-6
CAS Name: 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl chloride
OPENEYE Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride
IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonyl chloride
MOLECULAR FORMULA: C4ClF9O2S
MOLECULAR WEIGHT: 318.545229
SMILES: C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(C(F)(F)F)(F)F
Structure:
CAS RN: 61469-26-9
CAS Name: 3-(4-amino-2-oxo-1-pyrimidinyl)-N-(4-ethenylphenyl)propanamide
OPENEYE Name: 3-(4-amino-2-oxo-pyrimidin-1-yl)-N-(4-vinylphenyl)propanamide
IUPAC Name: 3-(4-amino-2-oxopyrimidin-1-yl)-N-(4-ethenylphenyl)propanamide
SYSTEMATIC NAME: 3-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-N-(4-ethenylphenyl)propanamide
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: C=CC1=CC=C(C=C1)NC(=O)CCN2C=CC(=NC2=O)N
Structure:
CAS RN: 57998-19-3
CAS Name: 3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide
OPENEYE Name: 3-(6-aminopurin-9-yl)-N-(4-vinylphenyl)propanamide
IUPAC Name: 3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide
SYSTEMATIC NAME: 3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide
MOLECULAR FORMULA: C16H16N6O
MOLECULAR WEIGHT: 308.33784
SMILES: C=CC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN=C3N
Structure:
CAS RN: 62584-08-1
CAS Name: 12-hydroxy-12H-indolo[2,1-b]quinazolin-6-one
OPENEYE Name: 12-hydroxy-12H-indolo[2,1-b]quinazolin-6-one
IUPAC Name: 12-hydroxy-12H-indolo[2,1-b]quinazolin-6-one
SYSTEMATIC NAME: 12-oxidanyl-12H-indolo[2,1-b]quinazolin-6-one
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C2C(=C1)C(N3C4=CC=CC=C4C(=O)C3=N2)O
Structure:
CAS RN: 74034-99-4
CAS Name: 2-amino-4-(4-hydroxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 2-amino-4-(4-hydroxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(4-hydroxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1=CC(=CC=C1C(=O)CC(C(=O)O)N)O
Structure:
CAS RN: 62411-76-1
CAS Name: 6-(4-methoxyphenyl)-2,4,6-trimethyl-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-(4-methoxyphenyl)-2,4,6-trimethyl-cyclohexa-2,4-dien-1-one
IUPAC Name: 6-(4-methoxyphenyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-2,4,6-trimethyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: CC1=CC(=CC(C1=O)(C)C2=CC=C(C=C2)OC)C
Structure:
CAS RN: 65094-13-5
CAS Name: 2-[(4-fluorophenyl)-methyl-phenylsilyl]oxy-N,N-dimethylethanamine
OPENEYE Name: 2-[(4-fluorophenyl)-methyl-phenyl-silyl]oxy-N,N-dimethyl-ethanamine
IUPAC Name: 2-[(4-fluorophenyl)-methyl-phenylsilyl]oxy-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(4-fluorophenyl)-methyl-phenyl-silyl]oxy-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C17H22FNOSi
MOLECULAR WEIGHT: 303.446583
SMILES: CN(C)CCO[Si](C)(C1=CC=CC=C1)C2=CC=C(C=C2)F
Structure:
CAS RN: 61262-43-9
CAS Name: 5-(3-chlorophenyl)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
OPENEYE Name: 5-(3-chlorophenyl)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC Name: 5-(3-chlorophenyl)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-(3-chlorophenyl)-1-(4-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C17H10Cl2N4O2
MOLECULAR WEIGHT: 373.1929
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)C3=CNN(C3=NC2=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 61262-39-3
CAS Name: 5-(3-methylphenyl)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
OPENEYE Name: 5-(m-tolyl)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC Name: 5-(3-methylphenyl)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-(3-methylphenyl)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
MOLECULAR FORMULA: C19H16N4O2
MOLECULAR WEIGHT: 332.35594
SMILES: CC1=CC=C(C=C1)N2C3=NC(=O)N(C(=O)C3=CN2)C4=CC=CC(=C4)C
Structure:
CAS RN: 60672-79-9
CAS Name: 2-cyanoethyl(hydroxymethyl)phosphinic acid
OPENEYE Name: 2-cyanoethyl(hydroxymethyl)phosphinic acid
IUPAC Name: 2-cyanoethyl(hydroxymethyl)phosphinic acid
SYSTEMATIC NAME: 2-cyanoethyl(hydroxymethyl)phosphinic acid
MOLECULAR FORMULA: C4H8NO3P
MOLECULAR WEIGHT: 149.084981
SMILES: C(CP(=O)(CO)O)C#N
Structure:
CAS RN: 59864-22-1
CAS Name: 2-[(6-bromo-2-naphthalenyl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[(6-bromo-2-naphthyl)oxy]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-bromonaphthalen-2-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-bromanylnaphthalen-2-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H15BrO5
MOLECULAR WEIGHT: 355.1806
SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1OC3C(C(C(O3)CO)O)O
Structure:
CAS RN: 28998-36-9
CAS Name: benzoic acid [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C29H24N4O8
MOLECULAR WEIGHT: 556.52286
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 10302-78-0
CAS Name: acetic acid [3,4-diacetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H18N4O8
MOLECULAR WEIGHT: 370.31472
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC(=NC2=O)N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 69123-48-4
CAS Name: 4-[[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(4,5-dihydrothiazol-2-ylcarbamoylamino)benzoate
IUPAC Name: ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate
MOLECULAR FORMULA: C13H15N3O3S
MOLECULAR WEIGHT: 293.3415
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NCCS2
Structure:
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