CAS RN: 31747-34-9
CAS Name: 2-[2-amino-6-(1-piperidinyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[2-amino-6-(1-piperidyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(2-amino-6-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-azanyl-6-piperidin-1-yl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H22N6O4
MOLECULAR WEIGHT: 350.37298
SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N
Structure:
CAS RN: 26775-35-9
CAS Name: 2-[2-amino-6-(2-phenylethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[2-amino-6-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[2-amino-6-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[2-azanyl-6-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C18H22N6O4
MOLECULAR WEIGHT: 386.40508
SMILES: C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N
Structure:
CAS RN: 59856-78-9
CAS Name: 2-(hydroxymethyl)-5-[6-(4-methyl-1-piperazinyl)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C15H22N6O4
MOLECULAR WEIGHT: 350.37298
SMILES: CN1CCN(CC1)C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 36799-21-0
CAS Name: 2-(hydroxymethyl)-5-[6-(1-pyrrolidinyl)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(6-pyrrolidin-1-ylpurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H19N5O4
MOLECULAR WEIGHT: 321.33176
SMILES: C1CCN(C1)C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 54241-03-1
CAS Name: 2-[6-[2-(3,4-dihydroxyphenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-[2-(3,4-dihydroxyphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-[2-(3,4-dihydroxyphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C18H21N5O6
MOLECULAR WEIGHT: 403.38924
SMILES: C1=CC(=C(C=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O)O
Structure:
CAS RN: 59780-96-0
CAS Name: 4-hydroxy-3-mercaptobenzoic acid
OPENEYE Name: 4-hydroxy-3-sulfanyl-benzoic acid
IUPAC Name: 4-hydroxy-3-sulfanylbenzoic acid
SYSTEMATIC NAME: 4-oxidanyl-3-sulfanyl-benzoic acid
MOLECULAR FORMULA: C7H6O3S
MOLECULAR WEIGHT: 170.18574
SMILES: C1=CC(=C(C=C1C(=O)O)S)O
Structure:
CAS RN: 23285-17-8
CAS Name: 2,3,5,6,7,8-hexahydro-1,4-benzodithiin
OPENEYE Name: 2,3,5,6,7,8-hexahydro-1,4-benzodithiine
IUPAC Name: 2,3,5,6,7,8-hexahydro-1,4-benzodithiine
SYSTEMATIC NAME: 2,3,5,6,7,8-hexahydro-1,4-benzodithiine
MOLECULAR FORMULA: C8H12S2
MOLECULAR WEIGHT: 172.31088
SMILES: C1CCC2=C(C1)SCCS2
Structure:
CAS RN: 58950-31-5
CAS Name: 1,5-dimethyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
OPENEYE Name: 1,5-dimethyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
IUPAC Name: 1,5-dimethyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
SYSTEMATIC NAME: 1,5-dimethyl-4,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine
MOLECULAR FORMULA: C6H9N5
MOLECULAR WEIGHT: 151.16916
SMILES: CC1=NCC2=C(N1)N=NN2C
Structure:
CAS RN: 58950-30-4
CAS Name: 1-methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
OPENEYE Name: 1-methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
IUPAC Name: 1-methyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
SYSTEMATIC NAME: 1-methyl-4,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine
MOLECULAR FORMULA: C5H7N5
MOLECULAR WEIGHT: 137.14258
SMILES: CN1C2=C(NC=NC2)N=N1
Structure:
CAS RN: 5221-29-4
CAS Name: 2-[[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(5-aminocarbonyl-2-azanyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N8O7
MOLECULAR WEIGHT: 488.45396
SMILES: C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 72973-87-6
CAS Name: 2-[[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2-amino-5-carbamoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(5-aminocarbonyl-2-azanyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N8O7
MOLECULAR WEIGHT: 488.45396
SMILES: C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 68761-57-9
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-1,3,5-triazin-1-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(2,4-dioxo-1,3,5-triazin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(2,4-dioxo-1,3,5-triazin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)-1,3,5-triazin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C29H23N3O9
MOLECULAR WEIGHT: 557.50762
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC(=O)NC3=O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 66583-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H54O7
MOLECULAR WEIGHT: 574.78836
SMILES: CCCCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(C(C4(C3C=C(C4=O)C)O)O)CO)O)C
Structure:
CAS RN: 66583-59-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H58O6
MOLECULAR WEIGHT: 586.84212
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C
Structure:
CAS RN: 71847-92-2
CAS Name: cyclopropanecarboxylic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) cyclopropanecarboxylate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) cyclopropanecarboxylate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) cyclopropanecarboxylate
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1CC1C(=O)OC2=CC=CNC2=O
Structure:
CAS RN: 546-30-5
CAS Name: 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylene-5'-oxo-1'-spiro[benzofuran-2,3'-cyclopentene]carboxylic acid
OPENEYE Name: 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylene-5'-oxo-spiro[benzofuran-2,3'-cyclopentene]-1'-carboxylic acid
IUPAC Name: 7-acetyl-4,6-dihydroxy-2',5-dimethyl-3-methylidene-5'-oxospiro[1-benzofuran-2,3'-cyclopentene]-1'-carboxylic acid
SYSTEMATIC NAME: 7-ethanoyl-2',5-dimethyl-3-methylidene-4,6-bis(oxidanyl)-5'-oxidanylidene-spiro[1-benzofuran-2,3'-cyclopentene]-1'-carboxylic acid
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: CC1=C(C2=C(C(=C1O)C(=O)C)OC3(C2=C)CC(=O)C(=C3C)C(=O)O)O
Structure:
CAS RN: 19168-84-4
CAS Name: 4-(chloromethyl)-1,2,4,6-tetramethylpyridine-3,5-dicarbonitrile
OPENEYE Name: 4-(chloromethyl)-1,2,4,6-tetramethyl-pyridine-3,5-dicarbonitrile
IUPAC Name: 4-(chloromethyl)-1,2,4,6-tetramethylpyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 4-(chloromethyl)-1,2,4,6-tetramethyl-pyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C12H14ClN3
MOLECULAR WEIGHT: 235.71266
SMILES: CC1=C(C(C(=C(N1C)C)C#N)(C)CCl)C#N
Structure:
CAS RN: 32136-89-3
CAS Name: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile
OPENEYE Name: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile
IUPAC Name: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC1=C(C(C(=C(N1C)C)C#N)(C)C)C#N
Structure:
CAS RN: 7740-04-7
CAS Name: 4-methylbenzenesulfonic acid (2-formyl-6-methoxyphenyl) ester
OPENEYE Name: (2-formyl-6-methoxy-phenyl) 4-methylbenzenesulfonate
IUPAC Name: (2-formyl-6-methoxyphenyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2-methanoyl-6-methoxy-phenyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H14O5S
MOLECULAR WEIGHT: 306.33366
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=O
Structure:
CAS RN: 72517-23-8
CAS Name: 5-bromo-2,3-dimethoxybenzoic acid
OPENEYE Name: 5-bromo-2,3-dimethoxy-benzoic acid
IUPAC Name: 5-bromo-2,3-dimethoxybenzoic acid
SYSTEMATIC NAME: 5-bromanyl-2,3-dimethoxy-benzoic acid
MOLECULAR FORMULA: C9H9BrO4
MOLECULAR WEIGHT: 261.06936
SMILES: COC1=C(C(=CC(=C1)Br)C(=O)O)OC
Structure:
CAS RN: 70349-84-7
CAS Name: 5'-tert-butyl-8-methoxy-3'-methyl-6-nitro-3-propan-2-ylspiro[1-benzopyran-2,2'-thiazolidine]
OPENEYE Name: 5'-tert-butyl-3-isopropyl-8-methoxy-3'-methyl-6-nitro-spiro[chromene-2,2'-thiazolidine]
IUPAC Name: 5-tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-thiazolidine-2,2'-chromene]
SYSTEMATIC NAME: 5-tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-yl-spiro[1,3-thiazolidine-2,2'-chromene]
MOLECULAR FORMULA: C20H28N2O4S
MOLECULAR WEIGHT: 392.51232
SMILES: CC(C)C1=CC2=CC(=CC(=C2OC13N(CC(S3)C(C)(C)C)C)OC)[N+](=O)[O-]
Structure:
CAS RN: 63147-82-0
CAS Name: 6,6'-dimethoxy-3,3'-dimethyl-8,8'-dinitro-2,2'-spirobi[1-benzopyran]
OPENEYE Name: 6,6'-dimethoxy-3,3'-dimethyl-8,8'-dinitro-2,2'-spirobi[chromene]
IUPAC Name: 6,6'-dimethoxy-3,3'-dimethyl-8,8'-dinitro-2,2'-spirobi[chromene]
SYSTEMATIC NAME: 6,6'-dimethoxy-3,3'-dimethyl-8,8'-dinitro-2,2'-spirobi[chromene]
MOLECULAR FORMULA: C21H18N2O8
MOLECULAR WEIGHT: 426.37622
SMILES: CC1=CC2=CC(=CC(=C2OC13C(=CC4=CC(=CC(=C4O3)[N+](=O)[O-])OC)C)[N+](=O)[O-])OC
Structure:
CAS RN: 66094-26-6
CAS Name: 8-methoxy-3,3',5'-trimethyl-6-nitrospiro[1-benzopyran-2,2'-oxazolidine]
OPENEYE Name: 8-methoxy-3,3',5'-trimethyl-6-nitro-spiro[chromene-2,2'-oxazolidine]
IUPAC Name: 8'-methoxy-3,3',5-trimethyl-6'-nitrospiro[1,3-oxazolidine-2,2'-chromene]
SYSTEMATIC NAME: 8'-methoxy-3,3',5-trimethyl-6'-nitro-spiro[1,3-oxazolidine-2,2'-chromene]
MOLECULAR FORMULA: C15H18N2O5
MOLECULAR WEIGHT: 306.31382
SMILES: CC1CN(C2(O1)C(=CC3=CC(=CC(=C3O2)OC)[N+](=O)[O-])C)C
Structure:
CAS RN: 60471-42-3
CAS Name: 8'-methoxy-3,3',4,4,6-pentamethyl-6'-nitrospiro[1,3-oxazinane-2,2'-1-benzopyran]
OPENEYE Name: 8'-methoxy-3,3',4,4,6-pentamethyl-6'-nitro-spiro[1,3-oxazinane-2,2'-chromene]
IUPAC Name: 8'-methoxy-3,3',4,4,6-pentamethyl-6'-nitrospiro[1,3-oxazinane-2,2'-chromene]
SYSTEMATIC NAME: 8'-methoxy-3,3',4,4,6-pentamethyl-6'-nitro-spiro[1,3-oxazinane-2,2'-chromene]
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CC1CC(N(C2(O1)C(=CC3=CC(=CC(=C3O2)OC)[N+](=O)[O-])C)C)(C)C
Structure:
CAS RN: 32432-60-3
CAS Name: 8'-methoxy-3-methyl-6'-nitrospiro[1,3-benzothiazole-2,2'-1,3-benzoxazine]
OPENEYE Name: 8'-methoxy-3-methyl-6'-nitro-spiro[1,3-benzothiazole-2,2'-1,3-benzoxazine]
IUPAC Name: 8'-methoxy-3-methyl-6'-nitrospiro[1,3-benzothiazole-2,2'-1,3-benzoxazine]
SYSTEMATIC NAME: 8'-methoxy-3-methyl-6'-nitro-spiro[1,3-benzothiazole-2,2'-1,3-benzoxazine]
MOLECULAR FORMULA: C16H13N3O4S
MOLECULAR WEIGHT: 343.35712
SMILES: CN1C2=CC=CC=C2SC13N=CC4=CC(=CC(=C4O3)OC)[N+](=O)[O-]
Structure:
CAS RN: 52607-60-0
CAS Name: (4-nitrophenyl)-(1',3',3'-trimethyl-6-spiro[1-benzopyran-2,2'-indole]yl)diazene
OPENEYE Name: (4-nitrophenyl)-(1',3',3'-trimethylspiro[chromene-2,2'-indoline]-6-yl)diazene
IUPAC Name: (4-nitrophenyl)-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)diazene
SYSTEMATIC NAME: (4-nitrophenyl)-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)diazene
MOLECULAR FORMULA: C25H22N4O3
MOLECULAR WEIGHT: 426.46718
SMILES: CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-])C)C
Structure:
CAS RN: 33442-78-3
CAS Name: 6'-methoxy-3,3'-dimethyl-8'-nitrospiro[1,3-benzoxazole-2,2'-1-benzopyran]
OPENEYE Name: 6'-methoxy-3,3'-dimethyl-8'-nitro-spiro[1,3-benzoxazole-2,2'-chromene]
IUPAC Name: 6'-methoxy-3,3'-dimethyl-8'-nitrospiro[1,3-benzoxazole-2,2'-chromene]
SYSTEMATIC NAME: 6'-methoxy-3,3'-dimethyl-8'-nitro-spiro[1,3-benzoxazole-2,2'-chromene]
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: CC1=CC2=CC(=CC(=C2OC13N(C4=CC=CC=C4O3)C)[N+](=O)[O-])OC
Structure:
CAS RN: 64402-73-9
CAS Name: 5,5-diethyl-1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphorinane-4,6-dione
OPENEYE Name: 5,5-diethyl-1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
IUPAC Name: 5,5-diethyl-1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
SYSTEMATIC NAME: 5,5-diethyl-1,3-dimethyl-2-oxidanylidene-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
MOLECULAR FORMULA: C15H21N2O4P
MOLECULAR WEIGHT: 324.312001
SMILES: CCC1(C(=O)N(P(=O)(N(C1=O)C)OC2=CC=CC=C2)C)CC
Structure:
CAS RN: 64402-72-8
CAS Name: 1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphorinane-4,6-dione
OPENEYE Name: 1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
IUPAC Name: 1,3-dimethyl-2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-2-oxidanylidene-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
MOLECULAR FORMULA: C11H13N2O4P
MOLECULAR WEIGHT: 268.205681
SMILES: CN1C(=O)CC(=O)N(P1(=O)OC2=CC=CC=C2)C
Structure:
CAS RN: 64402-71-7
CAS Name: 2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphorinane-4,6-dione
OPENEYE Name: 2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
IUPAC Name: 2-oxo-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
SYSTEMATIC NAME: 2-oxidanylidene-2-phenoxy-1,3,2$l^{5}-diazaphosphinane-4,6-dione
MOLECULAR FORMULA: C9H9N2O4P
MOLECULAR WEIGHT: 240.152521
SMILES: C1C(=O)NP(=O)(NC1=O)OC2=CC=CC=C2
Structure:
CAS RN: 64402-69-3
CAS Name: 2-ethoxy-2-oxo-1,3-dipropyl-1,3,2$l^{5}-diazaphosphorinane-4,6-dione
OPENEYE Name: 2-ethoxy-2-oxo-1,3-dipropyl-1,3,2$l^{5}-diazaphosphinane-4,6-dione
IUPAC Name: 2-ethoxy-2-oxo-1,3-dipropyl-1,3,2$l^{5}-diazaphosphinane-4,6-dione
SYSTEMATIC NAME: 2-ethoxy-2-oxidanylidene-1,3-dipropyl-1,3,2$l^{5}-diazaphosphinane-4,6-dione
MOLECULAR FORMULA: C11H21N2O4P
MOLECULAR WEIGHT: 276.269201
SMILES: CCCN1C(=O)CC(=O)N(P1(=O)OCC)CCC
Structure:
CAS RN: 63911-40-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H44N2O8
MOLECULAR WEIGHT: 704.80736
SMILES: CN1CCC2=CC(=C(C3=C2C1=C(C4=CC(=C(C=C43)OC)OC)C5=C6C7=C(C8=CC(=C(C=C85)OC)OC)C(=C(C=C7CCN6C)OC)OC)OC)OC
Structure:
CAS RN: 66910-37-0
CAS Name: 5-fluoro-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
OPENEYE Name: 1-(benzyloxymethyl)-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H11FN2O3
MOLECULAR WEIGHT: 250.225743
SMILES: C1=CC=C(C=C1)COCN2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 73395-31-0
CAS Name: 3-amino-2,2-difluorobutanedioic acid
OPENEYE Name: 3-amino-2,2-difluoro-butanedioic acid
IUPAC Name: 3-amino-2,2-difluorobutanedioic acid
SYSTEMATIC NAME: 3-azanyl-2,2-bis(fluoranyl)butanedioic acid
MOLECULAR FORMULA: C4H5F2NO4
MOLECULAR WEIGHT: 169.083606
SMILES: C(C(=O)O)(C(C(=O)O)(F)F)N
Structure:
CAS RN: 41276-23-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24ClN5O5S2
MOLECULAR WEIGHT: 550.05016
SMILES: CC1=CC=CC=C1CN2C3=C(CN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N)C(=O)N5C2=NCC5
Structure:
CAS RN: 64233-16-5
CAS Name: 6-(2-pyridinyl)-1H-pteridine-2,4-dione
OPENEYE Name: 6-(2-pyridyl)-1H-pteridine-2,4-dione
IUPAC Name: 6-pyridin-2-yl-1H-pteridine-2,4-dione
SYSTEMATIC NAME: 6-pyridin-2-yl-1H-pteridine-2,4-dione
MOLECULAR FORMULA: C11H7N5O2
MOLECULAR WEIGHT: 241.20558
SMILES: C1=CC=NC(=C1)C2=CN=C3C(=N2)C(=O)NC(=O)N3
Structure:
CAS RN: 64233-31-4
CAS Name: 6-(4-methoxyphenyl)-1H-pteridine-2,4-dione
OPENEYE Name: 6-(4-methoxyphenyl)-1H-pteridine-2,4-dione
IUPAC Name: 6-(4-methoxyphenyl)-1H-pteridine-2,4-dione
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-1H-pteridine-2,4-dione
MOLECULAR FORMULA: C13H10N4O3
MOLECULAR WEIGHT: 270.2435
SMILES: COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=O)NC(=O)N3
Structure:
CAS RN: 64233-29-0
CAS Name: 6-(4-methylphenyl)-1H-pteridine-2,4-dione
OPENEYE Name: 6-(p-tolyl)-1H-pteridine-2,4-dione
IUPAC Name: 6-(4-methylphenyl)-1H-pteridine-2,4-dione
SYSTEMATIC NAME: 6-(4-methylphenyl)-1H-pteridine-2,4-dione
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: CC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=O)NC(=O)N3
Structure:
CAS RN: 64233-23-4
CAS Name: 6-(4-chlorophenyl)-1H-pteridine-2,4-dione
OPENEYE Name: 6-(4-chlorophenyl)-1H-pteridine-2,4-dione
IUPAC Name: 6-(4-chlorophenyl)-1H-pteridine-2,4-dione
SYSTEMATIC NAME: 6-(4-chlorophenyl)-1H-pteridine-2,4-dione
MOLECULAR FORMULA: C12H7ClN4O2
MOLECULAR WEIGHT: 274.66258
SMILES: C1=CC(=CC=C1C2=CN=C3C(=N2)C(=O)NC(=O)N3)Cl
Structure:
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