CAS RN: 10016-20-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H60O30
MOLECULAR WEIGHT: 972.8436
SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O
Structure:
CAS RN: 64356-67-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O8
MOLECULAR WEIGHT: 394.41564
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H](C([C@@]4(CC(=O)O3)O)(OC5)C)O)O)C)O
Structure:
CAS RN: 1891-08-3
CAS Name: 2-(2,4-dimethoxyphenyl)acetaldehyde oxime
OPENEYE Name: 2-(2,4-dimethoxyphenyl)acetaldehyde oxime
IUPAC Name: N-[2-(2,4-dimethoxyphenyl)ethylidene]hydroxylamine
SYSTEMATIC NAME: N-[2-(2,4-dimethoxyphenyl)ethylidene]hydroxylamine
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC(=C(C=C1)CC=NO)OC
Structure:
CAS RN: 1891-11-8
CAS Name: 2-(2,4-dimethoxyphenyl)acetonitrile
OPENEYE Name: 2-(2,4-dimethoxyphenyl)acetonitrile
IUPAC Name: 2-(2,4-dimethoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)ethanenitrile
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC(=C(C=C1)CC#N)OC
Structure:
CAS RN: 69299-74-7
CAS Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]acetamide
OPENEYE Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]acetamide
IUPAC Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
SYSTEMATIC NAME: N-[6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]ethanamide
MOLECULAR FORMULA: C29H31NO12
MOLECULAR WEIGHT: 585.55594
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)C)O
Structure:
CAS RN: 18708-16-2
CAS Name: N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methylbenzenesulfonamide
OPENEYE Name: N-[[4-(dimethylamino)phenyl]methyleneamino]-4-methyl-benzenesulfonamide
IUPAC Name: N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C16H19N3O2S
MOLECULAR WEIGHT: 317.40596
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 6126-10-9
CAS Name: 1-(4-methylphenyl)sulfonylpyrazole
OPENEYE Name: 1-(p-tolylsulfonyl)pyrazole
IUPAC Name: 1-(4-methylphenyl)sulfonylpyrazole
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonylpyrazole
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=N2
Structure:
CAS RN: 3898-95-1
CAS Name: N-(4-methylphenyl)sulfonylmethanehydrazonic acid ethyl ester
OPENEYE Name: ethyl N-(p-tolylsulfonyl)methanehydrazonate
IUPAC Name: ethyl N-(4-methylphenyl)sulfonylmethanehydrazonate
SYSTEMATIC NAME: ethyl N-(4-methylphenyl)sulfonylmethanehydrazonate
MOLECULAR FORMULA: C10H14N2O3S
MOLECULAR WEIGHT: 242.29476
SMILES: CCOC=NNS(=O)(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 54022-49-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H54N4O10
MOLECULAR WEIGHT: 822.94176
SMILES: CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41
Structure:
CAS RN: 60306-33-4
CAS Name: thiadiazolo[4,5-c]pyridine-4,6-diamine
OPENEYE Name: thiadiazolo[4,5-c]pyridine-4,6-diamine
IUPAC Name: thiadiazolo[4,5-c]pyridine-4,6-diamine
SYSTEMATIC NAME: [1,2,3]thiadiazolo[4,5-c]pyridine-4,6-diamine
MOLECULAR FORMULA: C5H5N5S
MOLECULAR WEIGHT: 167.1917
SMILES: C1=C2C(=C(N=C1N)N)N=NS2
Structure:
CAS RN: 91446-02-5
CAS Name: 3-[(4-chlorophenyl)methylamino]-2-oxazolidinone
OPENEYE Name: 3-[(4-chlorophenyl)methylamino]oxazolidin-2-one
IUPAC Name: 3-[(4-chlorophenyl)methylamino]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methylamino]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1COC(=O)N1NCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 2351-14-6
CAS Name: 5-aminohexane-1,2,3,4,6-pentol
OPENEYE Name: 5-aminohexane-1,2,3,4,6-pentol
IUPAC Name: 5-aminohexane-1,2,3,4,6-pentol
SYSTEMATIC NAME: 5-azanylhexane-1,2,3,4,6-pentol
MOLECULAR FORMULA: C6H15NO5
MOLECULAR WEIGHT: 181.187
SMILES: C(C(C(C(C(CO)O)O)O)N)O
Structure:
CAS RN: 6730-20-7
CAS Name: benzoic acid (2,3,4,5-tetraacetyloxy-6-methylsulfonyloxycyclohexyl) ester
OPENEYE Name: (2,3,4,5-tetraacetoxy-6-methylsulfonyloxy-cyclohexyl) benzoate
IUPAC Name: (2,3,4,5-tetraacetyloxy-6-methylsulfonyloxycyclohexyl) benzoate
SYSTEMATIC NAME: (2,3,4,5-tetraacetyloxy-6-methylsulfonyloxy-cyclohexyl) benzoate
MOLECULAR FORMULA: C22H26O13S
MOLECULAR WEIGHT: 530.49904
SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 6730-17-2
CAS Name: benzoic acid (2,3,4,5-tetraacetyloxy-6-hydroxycyclohexyl) ester
OPENEYE Name: (2,3,4,5-tetraacetoxy-6-hydroxy-cyclohexyl) benzoate
IUPAC Name: (2,3,4,5-tetraacetyloxy-6-hydroxycyclohexyl) benzoate
SYSTEMATIC NAME: (2,3,4,5-tetraacetyloxy-6-oxidanyl-cyclohexyl) benzoate
MOLECULAR FORMULA: C21H24O11
MOLECULAR WEIGHT: 452.40866
SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C2=CC=CC=C2)O
Structure:
CAS RN: 26276-98-2
CAS Name: acetic acid (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) ester
OPENEYE Name: (5,6,7-triacetoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
IUPAC Name: (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
SYSTEMATIC NAME: (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) ethanoate
MOLECULAR FORMULA: C17H24O10
MOLECULAR WEIGHT: 388.36646
SMILES: CC(=O)OC1C2C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C
Structure:
CAS RN: 90366-30-6
CAS Name: acetic acid (2,3,4-triacetyloxy-5,6-dihydroxycyclohexyl) ester
OPENEYE Name: (2,3,4-triacetoxy-5,6-dihydroxy-cyclohexyl) acetate
IUPAC Name: (2,3,4-triacetyloxy-5,6-dihydroxycyclohexyl) acetate
SYSTEMATIC NAME: [2,3,4-triacetyloxy-5,6-bis(oxidanyl)cyclohexyl] ethanoate
MOLECULAR FORMULA: C14H20O10
MOLECULAR WEIGHT: 348.3026
SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)O)O
Structure:
CAS RN: 64600-48-2
CAS Name: 5-[[6-methyl-2-(methylthio)-4-oxo-8-pyrido[2,3-d]pyrimidinyl]methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(6-methyl-2-methylsulfanyl-4-oxo-pyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(6-methyl-2-methylsulfanyl-4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H13N5O3S
MOLECULAR WEIGHT: 331.34972
SMILES: CC1=CN(C2=NC(=NC(=O)C2=C1)SC)CC3=CNC(=O)NC3=O
Structure:
CAS RN: 64600-57-3
CAS Name: 6,8-dimethyl-2-(methylthio)-4-pyrido[2,3-d]pyrimidinone
OPENEYE Name: 6,8-dimethyl-2-methylsulfanyl-pyrido[2,3-d]pyrimidin-4-one
IUPAC Name: 6,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 6,8-dimethyl-2-methylsulfanyl-pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H11N3OS
MOLECULAR WEIGHT: 221.27884
SMILES: CC1=CN(C2=NC(=NC(=O)C2=C1)SC)C
Structure:
CAS RN: 61129-16-6
CAS Name: 4-amino-2,7-dichloro-5-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-2,7-dichloro-pyrido[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-2,7-dichloropyrido[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-2,7-bis(chloranyl)pyrido[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C8H5Cl2N5O
MOLECULAR WEIGHT: 258.0642
SMILES: C1=C(C2=C(N=C1Cl)N=C(N=C2N)Cl)C(=O)N
Structure:
CAS RN: 61129-15-5
CAS Name: 2,4,7-trichloro-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: methyl 2,4,7-trichloropyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 2,4,7-tris(chloranyl)pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C9H4Cl3N3O2
MOLECULAR WEIGHT: 292.50596
SMILES: COC(=O)C1=CC(=NC2=C1C(=NC(=N2)Cl)Cl)Cl
Structure:
CAS RN: 61140-13-4
CAS Name: 4-amino-8-(methoxymethyl)-2-(methylthio)-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-8-(methoxymethyl)-2-methylsulfanyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide
IUPAC Name: 4-amino-8-(methoxymethyl)-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 4-azanyl-8-(methoxymethyl)-2-methylsulfanyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C11H13N5O3S
MOLECULAR WEIGHT: 295.31762
SMILES: COCN1C=C(C(=O)C2=C1N=C(N=C2N)SC)C(=O)N
Structure:
CAS RN: 61140-19-0
CAS Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(methylthio)-7-oxo-5-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-7-oxo-pyrido[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-8-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methylsulfanyl-7-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C14H17N5O6S
MOLECULAR WEIGHT: 383.37968
SMILES: CSC1=NC2=C(C(=CC(=O)N2C3C(C(C(O3)CO)O)O)C(=O)N)C(=N1)N
Structure:
CAS RN: 61129-17-7
CAS Name: 4-amino-2-chloro-7-phenylmethoxy-5-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-7-benzyloxy-2-chloro-pyrido[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-2-chloro-7-phenylmethoxypyrido[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-2-chloranyl-7-phenylmethoxy-pyrido[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C15H12ClN5O2
MOLECULAR WEIGHT: 329.74108
SMILES: C1=CC=C(C=C1)COC2=NC3=C(C(=C2)C(=O)N)C(=NC(=N3)Cl)N
Structure:
CAS RN: 61140-10-1
CAS Name: 4-acetamido-8-(methoxymethyl)-2-(methylthio)-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-acetamido-8-(methoxymethyl)-2-methylsulfanyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 4-acetamido-8-(methoxymethyl)-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-acetamido-8-(methoxymethyl)-2-methylsulfanyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C15H18N4O5S
MOLECULAR WEIGHT: 366.39222
SMILES: CCOC(=O)C1=CN(C2=C(C1=O)C(=NC(=N2)SC)NC(=O)C)COC
Structure:
CAS RN: 61140-17-8
CAS Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide
IUPAC Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2,4-bis(azanyl)-8-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C13H16N6O6
MOLECULAR WEIGHT: 352.30274
SMILES: C1=C(C(=O)C2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)N)C(=O)N
Structure:
CAS RN: 50932-22-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H18Cl3NO4
MOLECULAR WEIGHT: 454.73092
SMILES: COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC
Structure:
CAS RN: 5096-71-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O6
MOLECULAR WEIGHT: 622.74988
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Structure:
CAS RN: 19879-44-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O6
MOLECULAR WEIGHT: 622.74988
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Structure:
CAS RN: 18251-36-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O7
MOLECULAR WEIGHT: 638.74928
SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)O)OC)OC
Structure:
CAS RN: 10026-27-4
CAS Name: 2-ethoxy-1,3-dimethyl-1,3,2$l^{5}-diazaphospholidine 2-oxide
OPENEYE Name: 2-ethoxy-1,3-dimethyl-1,3,2$l^{5}-diazaphospholidine 2-oxide
IUPAC Name: 2-ethoxy-1,3-dimethyl-1,3,2$l^{5}-diazaphospholidine 2-oxide
SYSTEMATIC NAME: 2-ethoxy-1,3-dimethyl-1,3,2$l^{5}-diazaphospholidine 2-oxide
MOLECULAR FORMULA: C6H15N2O2P
MOLECULAR WEIGHT: 178.169261
SMILES: CCOP1(=O)N(CCN1C)C
Structure:
No comments:
Post a Comment