CAS RN: 61524-51-4
CAS Name: 4,6-dibromobenzene-1,3-diol
OPENEYE Name: 4,6-dibromobenzene-1,3-diol
IUPAC Name: 4,6-dibromobenzene-1,3-diol
SYSTEMATIC NAME: 4,6-bis(bromanyl)benzene-1,3-diol
MOLECULAR FORMULA: C6H4Br2O2
MOLECULAR WEIGHT: 267.90276
SMILES: C1=C(C(=CC(=C1O)Br)Br)O
Structure:
CAS RN: 93487-18-4
CAS Name: 2-acetamido-2-[(4-methoxy-3,5-dimethylphenyl)methyl]propanedioic acid
OPENEYE Name: 2-acetamido-2-[(4-methoxy-3,5-dimethyl-phenyl)methyl]propanedioic acid
IUPAC Name: 2-acetamido-2-[(4-methoxy-3,5-dimethylphenyl)methyl]propanedioic acid
SYSTEMATIC NAME: 2-acetamido-2-[(4-methoxy-3,5-dimethyl-phenyl)methyl]propanedioic acid
MOLECULAR FORMULA: C15H19NO6
MOLECULAR WEIGHT: 309.31446
SMILES: CC1=CC(=CC(=C1OC)C)CC(C(=O)O)(C(=O)O)NC(=O)C
Structure:
CAS RN: 694-64-4
CAS Name: 2-phenyloxazolo[4,5-c]pyridine
OPENEYE Name: 2-phenyloxazolo[4,5-c]pyridine
IUPAC Name: 2-phenyl-[1,3]oxazolo[4,5-c]pyridine
SYSTEMATIC NAME: 2-phenyl-[1,3]oxazolo[4,5-c]pyridine
MOLECULAR FORMULA: C12H8N2O
MOLECULAR WEIGHT: 196.20472
SMILES: C1=CC=C(C=C1)C2=NC3=C(O2)C=CN=C3
Structure:
CAS RN: 326-04-5
CAS Name: 1-(4-methylphenyl)sulfonylpyrrolidine-2,5-dione
OPENEYE Name: 1-(p-tolylsulfonyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(4-methylphenyl)sulfonylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H11NO4S
MOLECULAR WEIGHT: 253.27434
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)CCC2=O
Structure:
CAS RN: 17356-97-7
CAS Name: (5R,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13,16-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8R,9S,10S,13S,14S,16R,17S)-17-ethanoyl-10,13,16-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C
Structure:
CAS RN: 92429-71-5
CAS Name: 8-bromo-4-[(2,4-dichlorophenyl)methylthio]cinnoline
OPENEYE Name: 8-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]cinnoline
IUPAC Name: 8-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]cinnoline
SYSTEMATIC NAME: 8-bromanyl-4-[(2,4-dichlorophenyl)methylsulfanyl]cinnoline
MOLECULAR FORMULA: C15H9BrCl2N2S
MOLECULAR WEIGHT: 400.12036
SMILES: C1=CC2=C(C(=C1)Br)N=NC=C2SCC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 1683-34-7
CAS Name: 4-[(2,4-dichlorophenyl)methylthio]-8-fluorocinnoline
OPENEYE Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluoro-cinnoline
IUPAC Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluorocinnoline
SYSTEMATIC NAME: 4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluoranyl-cinnoline
MOLECULAR FORMULA: C15H9Cl2FN2S
MOLECULAR WEIGHT: 339.214763
SMILES: C1=CC2=C(C(=C1)F)N=NC=C2SCC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 78515-97-6
CAS Name: 3-chloro-1-[4-(3-chloro-1-oxopropyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]-1-propanone
OPENEYE Name: 3-chloro-1-[4-(3-chloropropanoyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
IUPAC Name: 3-chloro-1-[4-(3-chloropropanoyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-chloranyl-1-[4-(3-chloranylpropanoyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]propan-1-one
MOLECULAR FORMULA: C16H20Cl2N2O2
MOLECULAR WEIGHT: 343.2482
SMILES: CC1C(N(C2=CC=CC=C2N1C(=O)CCCl)C(=O)CCCl)C
Structure:
CAS RN: 5347-08-0
CAS Name: carbamimidothioic acid 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl ester
OPENEYE Name: 2-[2-(5-ethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethyl]isothiourea
IUPAC Name: 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate
SYSTEMATIC NAME: 2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl carbamimidothioate
MOLECULAR FORMULA: C9H14N4O3S
MOLECULAR WEIGHT: 258.29746
SMILES: CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N
Structure:
CAS RN: 21239-96-3
CAS Name: 2-ethoxysulfonylacetic acid [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxysulfonylacetate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxysulfonylacetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxysulfonylethanoate
MOLECULAR FORMULA: C22H32O6S
MOLECULAR WEIGHT: 424.55088
SMILES: CCOS(=O)(=O)CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C
Structure:
CAS RN: 119206-62-1
CAS Name: 4-bromo-1-[(4-bromo-2-nitrophenyl)methyl]-2-nitrobenzene
OPENEYE Name: 4-bromo-1-[(4-bromo-2-nitro-phenyl)methyl]-2-nitro-benzene
IUPAC Name: 4-bromo-1-[(4-bromo-2-nitrophenyl)methyl]-2-nitrobenzene
SYSTEMATIC NAME: 4-bromanyl-1-[(4-bromanyl-2-nitro-phenyl)methyl]-2-nitro-benzene
MOLECULAR FORMULA: C13H8Br2N2O4
MOLECULAR WEIGHT: 416.02162
SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])CC2=C(C=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 10274-30-3
CAS Name: 4-diphenylphosphinooxybutoxy(diphenyl)phosphine
OPENEYE Name: 4-diphenylphosphanyloxybutoxy(diphenyl)phosphane
IUPAC Name: 4-diphenylphosphanyloxybutoxy(diphenyl)phosphane
SYSTEMATIC NAME: 4-diphenylphosphanyloxybutoxy(diphenyl)phosphane
MOLECULAR FORMULA: C28H28O2P2
MOLECULAR WEIGHT: 458.468242
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)OCCCCOP(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 1054-59-7
CAS Name: [diphenylphosphoryl(phenyl)phosphoryl]benzene
OPENEYE Name: [diphenylphosphoryl(phenyl)phosphoryl]benzene
IUPAC Name: [diphenylphosphoryl(phenyl)phosphoryl]benzene
SYSTEMATIC NAME: [diphenylphosphoryl(phenyl)phosphoryl]benzene
MOLECULAR FORMULA: C24H20O2P2
MOLECULAR WEIGHT: 402.361922
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 7458-03-9
CAS Name: 2-chloroethyl(diphenyl)phosphine
OPENEYE Name: 2-chloroethyl(diphenyl)phosphane
IUPAC Name: 2-chloroethyl(diphenyl)phosphane
SYSTEMATIC NAME: 2-chloroethyl(diphenyl)phosphane
MOLECULAR FORMULA: C14H14ClP
MOLECULAR WEIGHT: 248.687721
SMILES: C1=CC=C(C=C1)P(CCCl)C2=CC=CC=C2
Structure:
CAS RN: 14108-76-0
CAS Name: 2-(phenylthio)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-phenylsulfanylpropanedioate
IUPAC Name: diethyl 2-phenylsulfanylpropanedioate
SYSTEMATIC NAME: diethyl 2-phenylsulfanylpropanedioate
MOLECULAR FORMULA: C13H16O4S
MOLECULAR WEIGHT: 268.32874
SMILES: CCOC(=O)C(C(=O)OCC)SC1=CC=CC=C1
Structure:
CAS RN: 92830-26-7
CAS Name: 3-acetyl-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 3-acetyltetralin-2-one
IUPAC Name: 3-acetyl-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 3-ethanoyl-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC(=O)C1CC2=CC=CC=C2CC1=O
Structure:
CAS RN: 90008-93-8
CAS Name: 4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinesulfonic acid methyl ester
OPENEYE Name: methyl 4-amino-1,3-dimethyl-2,6-dioxo-pyrimidine-5-sulfonate
IUPAC Name: methyl 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-sulfonate
SYSTEMATIC NAME: methyl 4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate
MOLECULAR FORMULA: C7H11N3O5S
MOLECULAR WEIGHT: 249.24434
SMILES: CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)OC)N
Structure:
CAS RN: 31352-57-5
CAS Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,9,10,12-octahydro-3H-naphtho[2,1-f][1]benzopyran-2,8,11-trione
OPENEYE Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,9,10,12-octahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
IUPAC Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,9,10,12-octahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
SYSTEMATIC NAME: (4aS,4bS,10aS,10bR,12aS)-10b-fluoranyl-10a,12a-dimethyl-4,4a,4b,5,6,9,10,12-octahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
MOLECULAR FORMULA: C19H23FO4
MOLECULAR WEIGHT: 334.381923
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2(C(=O)C[C@]4([C@H]3CCC(=O)O4)C)F
Structure:
CAS RN: 487-25-2
CAS Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol
OPENEYE Name: 2-phenylchroman-4-ol
IUPAC Name: 2-phenyl-3,4-dihydro-2H-chromen-4-ol
SYSTEMATIC NAME: 2-phenyl-3,4-dihydro-2H-chromen-4-ol
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O
Structure:
CAS RN: 18625-03-1
CAS Name: 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioic acid O6-ethyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O6-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxo-hexanedioate
IUPAC Name: 1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioate
SYSTEMATIC NAME: O6-ethyl O1-(phenylmethyl) 2-acetamido-2-(hydroxymethyl)-3-oxidanylidene-hexanedioate
MOLECULAR FORMULA: C18H23NO7
MOLECULAR WEIGHT: 365.37772
SMILES: CCOC(=O)CCC(=O)C(CO)(C(=O)OCC1=CC=CC=C1)NC(=O)C
Structure:
CAS RN: 21322-78-1
CAS Name: propanoic acid [5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-[(1-oxopropylthio)methyl]-3-oxolanyl] ester
OPENEYE Name: [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(propanoylsulfanylmethyl)tetrahydrofuran-3-yl] propanoate
IUPAC Name: [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(propanoylsulfanylmethyl)oxolan-3-yl] propanoate
SYSTEMATIC NAME: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(propanoylsulfanylmethyl)oxolan-3-yl] propanoate
MOLECULAR FORMULA: C15H19FN2O6S
MOLECULAR WEIGHT: 374.384563
SMILES: CCC(=O)OC1CC(OC1CSC(=O)CC)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 2500-82-5
CAS Name: 4-methylbenzenesulfonic acid (4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) ester
OPENEYE Name: (4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate
IUPAC Name: (4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C16H22O7S
MOLECULAR WEIGHT: 358.40668
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C3C2OC(O3)(C)C)OC
Structure:
CAS RN: 70460-63-8
CAS Name: 5,6,7,8-tetramethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7,8-tetramethoxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7,8-tetramethoxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7,8-tetramethoxy-3-(4-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C20H20O7
MOLECULAR WEIGHT: 372.3686
SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3OC)OC)OC)OC
Structure:
CAS RN: 28103-25-5
CAS Name: 3-nitroso-2-phenylimidazo[1,2-a]pyrimidine
OPENEYE Name: 3-nitroso-2-phenyl-imidazo[1,2-a]pyrimidine
IUPAC Name: 3-nitroso-2-phenylimidazo[1,2-a]pyrimidine
SYSTEMATIC NAME: 3-nitroso-2-phenyl-imidazo[1,2-a]pyrimidine
MOLECULAR FORMULA: C12H8N4O
MOLECULAR WEIGHT: 224.21812
SMILES: C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)N=O
Structure:
CAS RN: 68909-29-5
CAS Name: 1-(2-furanylmethyl)-1,3,5-triazine-2,4-dione
OPENEYE Name: 1-(2-furylmethyl)-1,3,5-triazine-2,4-dione
IUPAC Name: 1-(furan-2-ylmethyl)-1,3,5-triazine-2,4-dione
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-1,3,5-triazine-2,4-dione
MOLECULAR FORMULA: C8H7N3O3
MOLECULAR WEIGHT: 193.15948
SMILES: C1=COC(=C1)CN2C=NC(=O)NC2=O
Structure:
CAS RN: 34253-01-5
CAS Name: 5-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl pyrimidine-5-carboxylate
IUPAC Name: methyl pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl pyrimidine-5-carboxylate
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: COC(=O)C1=CN=CN=C1
Structure:
CAS RN: 1950-82-9
CAS Name: 3,3-diethoxy-2-phenylthietane 1,1-dioxide
OPENEYE Name: 3,3-diethoxy-2-phenyl-thietane 1,1-dioxide
IUPAC Name: 3,3-diethoxy-2-phenylthietane 1,1-dioxide
SYSTEMATIC NAME: 3,3-diethoxy-2-phenyl-thietane 1,1-dioxide
MOLECULAR FORMULA: C13H18O4S
MOLECULAR WEIGHT: 270.34462
SMILES: CCOC1(CS(=O)(=O)C1C2=CC=CC=C2)OCC
Structure:
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