CAS RN: 28735-21-9
CAS Name: 3-(methylthio)-1,2,4-triazine
OPENEYE Name: 3-methylsulfanyl-1,2,4-triazine
IUPAC Name: 3-methylsulfanyl-1,2,4-triazine
SYSTEMATIC NAME: 3-methylsulfanyl-1,2,4-triazine
MOLECULAR FORMULA: C4H5N3S
MOLECULAR WEIGHT: 127.1676
SMILES: CSC1=NC=CN=N1
Structure:
CAS RN: 68160-32-7
CAS Name: 2-heptadeca-8,11-dienyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-heptadeca-8,11-dienyl-3-hydroxy-5,6-dimethoxy-1,4-benzoquinone
IUPAC Name: 2-heptadeca-8,11-dienyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-heptadeca-8,11-dienyl-5,6-dimethoxy-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C25H38O5
MOLECULAR WEIGHT: 418.56622
SMILES: CCCCCC=CCC=CCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)O
Structure:
CAS RN: 69241-91-4
CAS Name: 2,3-dimethoxy-5-[(4-methoxyphenyl)methylthio]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-[(4-methoxyphenyl)methylsulfanyl]-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H16O5S
MOLECULAR WEIGHT: 320.36024
SMILES: COC1=CC=C(C=C1)CSC2=CC(=O)C(=C(C2=O)OC)OC
Structure:
CAS RN: 69830-30-4
CAS Name: 6-(4-phenylbuta-1,3-dienyl)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-(4-phenylbuta-1,3-dienyl)-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-(4-phenylbuta-1,3-dienyl)-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-(4-phenylbuta-1,3-dienyl)-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: C1=CC=C(C=C1)C=CC=CC2=NNC(=O)NC2=O
Structure:
CAS RN: 69830-25-7
CAS Name: 6-[2-(3-iodophenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-[2-(3-iodophenyl)vinyl]-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-[2-(3-iodophenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-[2-(3-iodanylphenyl)ethenyl]-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C11H8IN3O2
MOLECULAR WEIGHT: 341.10459
SMILES: C1=CC(=CC(=C1)I)C=CC2=NNC(=O)NC2=O
Structure:
CAS RN: 24758-69-8
CAS Name: N,2,3,4,5,6-hexahydroxyhexanamide
OPENEYE Name: 2,3,4,5,6-pentahydroxyhexanehydroxamic acid
IUPAC Name: N,2,3,4,5,6-hexahydroxyhexanamide
SYSTEMATIC NAME: N,2,3,4,5,6-hexakis(oxidanyl)hexanamide
MOLECULAR FORMULA: C6H13NO7
MOLECULAR WEIGHT: 211.16992
SMILES: C(C(C(C(C(C(=O)NO)O)O)O)O)O
Structure:
CAS RN: 32677-00-2
CAS Name: N,2,3,4,5-pentahydroxypentanamide
OPENEYE Name: 2,3,4,5-tetrahydroxypentanehydroxamic acid
IUPAC Name: N,2,3,4,5-pentahydroxypentanamide
SYSTEMATIC NAME: N,2,3,4,5-pentakis(oxidanyl)pentanamide
MOLECULAR FORMULA: C5H11NO6
MOLECULAR WEIGHT: 181.14394
SMILES: C(C(C(C(C(=O)NO)O)O)O)O
Structure:
CAS RN: 1861-49-0
CAS Name: [[2-(4-bromophenyl)-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl [2-(4-bromophenyl)-2-oxo-ethyl]sulfanylmethanethioate
IUPAC Name: O-propan-2-yl [2-(4-bromophenyl)-2-oxoethyl]sulfanylmethanethioate
SYSTEMATIC NAME: O-propan-2-yl [2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate
MOLECULAR FORMULA: C12H13BrO2S2
MOLECULAR WEIGHT: 333.26442
SMILES: CC(C)OC(=S)SCC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 30100-83-5
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3-diazinane-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]hexahydropyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C9H14N2O6
MOLECULAR WEIGHT: 246.21726
SMILES: C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 69164-83-6
CAS Name: 2-amino-4-[[(4-ethoxy-1,4-dioxobut-2-enyl)amino]sulfamoyl]butanoic acid
OPENEYE Name: 2-amino-4-[[(4-ethoxy-4-oxo-but-2-enoyl)amino]sulfamoyl]butanoic acid
IUPAC Name: 2-amino-4-[[(4-ethoxy-4-oxobut-2-enoyl)amino]sulfamoyl]butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-[[(4-ethoxy-4-oxidanylidene-but-2-enoyl)amino]sulfamoyl]butanoic acid
MOLECULAR FORMULA: C10H17N3O7S
MOLECULAR WEIGHT: 323.32288
SMILES: CCOC(=O)C=CC(=O)NNS(=O)(=O)CCC(C(=O)O)N
Structure:
CAS RN: 64957-15-9
CAS Name: 4-hydrazinyl-4-oxo-2-butenoic acid ethyl ester
OPENEYE Name: ethyl 4-hydrazino-4-oxo-but-2-enoate
IUPAC Name: ethyl 4-hydrazinyl-4-oxobut-2-enoate
SYSTEMATIC NAME: ethyl 4-diazanyl-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: CCOC(=O)C=CC(=O)NN
Structure:
CAS RN: 91296-11-6
CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2-(hydroxymethyl)-1-cyclopentanol
OPENEYE Name: 4-(2-amino-6-chloro-purin-9-yl)-2-(hydroxymethyl)cyclopentanol
IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SYSTEMATIC NAME: 4-(2-azanyl-6-chloranyl-purin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
MOLECULAR FORMULA: C11H14ClN5O2
MOLECULAR WEIGHT: 283.71416
SMILES: C1C(CC(C1CO)O)N2C=NC3=C2N=C(N=C3Cl)N
Structure:
CAS RN: 26528-57-4
CAS Name: methanesulfonic acid [2,4-bis(phenylmethoxycarbonyloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [2,4-bis(benzyloxycarbonyloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl] methanesulfonate
IUPAC Name: [2,4-bis(phenylmethoxycarbonyloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2,4-bis(phenylmethoxycarbonyloxy)-6,8-dioxabicyclo[3.2.1]octan-3-yl] methanesulfonate
MOLECULAR FORMULA: C23H24O11S
MOLECULAR WEIGHT: 508.49506
SMILES: CS(=O)(=O)OC1C(C2COC(C1OC(=O)OCC3=CC=CC=C3)O2)OC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 57649-26-0
CAS Name: carbonic acid (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) (phenylmethyl) ester
OPENEYE Name: benzyl (2-benzyloxycarbonyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonate
IUPAC Name: benzyl (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonate
SYSTEMATIC NAME: (3-oxidanyl-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) (phenylmethyl) carbonate
MOLECULAR FORMULA: C22H22O9
MOLECULAR WEIGHT: 430.40468
SMILES: C1C2C(C(C(C(O1)O2)OC(=O)OCC3=CC=CC=C3)O)OC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 58484-19-8
CAS Name: 1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]urea
MOLECULAR FORMULA: C9H17ClN2O6
MOLECULAR WEIGHT: 284.69408
SMILES: C(CCl)NC(=O)NC1C(C(C(C(C1O)O)O)O)O
Structure:
CAS RN: 29973-19-1
CAS Name: acetic acid (2-acetamido-3,4,5,6-tetraacetyloxycyclohexyl) ester
OPENEYE Name: (2-acetamido-3,4,5,6-tetraacetoxy-cyclohexyl) acetate
IUPAC Name: (2-acetamido-3,4,5,6-tetraacetyloxycyclohexyl) acetate
SYSTEMATIC NAME: (2-acetamido-3,4,5,6-tetraacetyloxy-cyclohexyl) ethanoate
MOLECULAR FORMULA: C18H25NO11
MOLECULAR WEIGHT: 431.3912
SMILES: CC(=O)NC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 33664-93-6
CAS Name: 5,5-dimethyl-4-phenyl-2-oxazolidinone
OPENEYE Name: 5,5-dimethyl-4-phenyl-oxazolidin-2-one
IUPAC Name: 5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC1(C(NC(=O)O1)C2=CC=CC=C2)C
Structure:
CAS RN: 70036-42-9
CAS Name: acetic acid [6-[acetyl(methyl)amino]-5,8-diacetyloxy-9-methyl-3-carbazolyl] ester
OPENEYE Name: [5,8-diacetoxy-6-[acetyl(methyl)amino]-9-methyl-carbazol-3-yl] acetate
IUPAC Name: [6-[acetyl(methyl)amino]-5,8-diacetyloxy-9-methylcarbazol-3-yl] acetate
SYSTEMATIC NAME: [5,8-diacetyloxy-6-[ethanoyl(methyl)amino]-9-methyl-carbazol-3-yl] ethanoate
MOLECULAR FORMULA: C22H22N2O7
MOLECULAR WEIGHT: 426.41928
SMILES: CC(=O)N(C)C1=CC(=C2C(=C1OC(=O)C)C3=C(N2C)C=CC(=C3)OC(=O)C)OC(=O)C
Structure:
CAS RN: 70036-40-7
CAS Name: acetic acid [9-methyl-6-(methylamino)-5,8-dioxo-3-carbazolyl] ester
OPENEYE Name: [9-methyl-6-(methylamino)-5,8-dioxo-carbazol-3-yl] acetate
IUPAC Name: [9-methyl-6-(methylamino)-5,8-dioxocarbazol-3-yl] acetate
SYSTEMATIC NAME: [9-methyl-6-(methylamino)-5,8-bis(oxidanylidene)carbazol-3-yl] ethanoate
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CC(=O)OC1=CC2=C(C=C1)N(C3=C2C(=O)C(=CC3=O)NC)C
Structure:
CAS RN: 70036-32-7
CAS Name: 6-hydroxy-9-methyl-3-(methylamino)carbazole-1,4-dione
OPENEYE Name: 6-hydroxy-9-methyl-3-(methylamino)carbazole-1,4-dione
IUPAC Name: 6-hydroxy-9-methyl-3-(methylamino)carbazole-1,4-dione
SYSTEMATIC NAME: 9-methyl-3-(methylamino)-6-oxidanyl-carbazole-1,4-dione
MOLECULAR FORMULA: C14H12N2O3
MOLECULAR WEIGHT: 256.25668
SMILES: CNC1=CC(=O)C2=C(C1=O)C3=C(N2C)C=CC(=C3)O
Structure:
CAS RN: 66883-92-9
CAS Name: 2-[[4-(4-morpholinyl)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[(4-morpholinophenyl)methylene]propanedinitrile
IUPAC Name: 2-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: C1COCCN1C2=CC=C(C=C2)C=C(C#N)C#N
Structure:
CAS RN: 66883-91-8
CAS Name: 2-[[4-(1-piperidinyl)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[[4-(1-piperidyl)phenyl]methylene]propanedinitrile
IUPAC Name: 2-[(4-piperidin-1-ylphenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(4-piperidin-1-ylphenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C15H15N3
MOLECULAR WEIGHT: 237.2997
SMILES: C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C#N
Structure:
CAS RN: 71007-55-1
CAS Name: acetic acid (6,6-dibromo-2-methoxy-5-oxo-8,9-dihydro-7H-benzo[7]annulen-3-yl) ester
OPENEYE Name: (6,6-dibromo-2-methoxy-5-oxo-8,9-dihydro-7H-benzo[7]annulen-3-yl) acetate
IUPAC Name: (6,6-dibromo-2-methoxy-5-oxo-8,9-dihydro-7H-benzo[7]annulen-3-yl) acetate
SYSTEMATIC NAME: [6,6-bis(bromanyl)-2-methoxy-5-oxidanylidene-8,9-dihydro-7H-benzo[7]annulen-3-yl] ethanoate
MOLECULAR FORMULA: C14H14Br2O4
MOLECULAR WEIGHT: 406.06656
SMILES: CC(=O)OC1=C(C=C2CCCC(C(=O)C2=C1)(Br)Br)OC
Structure:
CAS RN: 65100-75-6
CAS Name: 1-(2-hydroxy-2-methylpropyl)-2-pyridinone
OPENEYE Name: 1-(2-hydroxy-2-methyl-propyl)pyridin-2-one
IUPAC Name: 1-(2-hydroxy-2-methylpropyl)pyridin-2-one
SYSTEMATIC NAME: 1-(2-methyl-2-oxidanyl-propyl)pyridin-2-one
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(C)(CN1C=CC=CC1=O)O
Structure:
CAS RN: 70987-73-4
CAS Name: 1-prop-1-enyl-2-pyridinone
OPENEYE Name: 1-prop-1-enylpyridin-2-one
IUPAC Name: 1-prop-1-enylpyridin-2-one
SYSTEMATIC NAME: 1-prop-1-enylpyridin-2-one
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC=CN1C=CC=CC1=O
Structure:
CAS RN: 67520-60-9
CAS Name: 1-(2-methylprop-1-enyl)-2-pyridinone
OPENEYE Name: 1-(2-methylprop-1-enyl)pyridin-2-one
IUPAC Name: 1-(2-methylprop-1-enyl)pyridin-2-one
SYSTEMATIC NAME: 1-(2-methylprop-1-enyl)pyridin-2-one
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC(=CN1C=CC=CC1=O)C
Structure:
CAS RN: 62587-48-8
CAS Name: 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylic acid O8-ethyl ester O2,O3-dimethyl ester
OPENEYE Name: O8-ethyl O2,O3-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
IUPAC Name: 8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
SYSTEMATIC NAME: O8-ethyl O2,O3-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
MOLECULAR FORMULA: C14H17NO6
MOLECULAR WEIGHT: 295.28788
SMILES: CCOC(=O)N1CC2C=CC1C(=C2C(=O)OC)C(=O)OC
Structure:
CAS RN: 70400-78-1
CAS Name: benzoic acid [2-(6,7-dimethoxy-1-isoquinolinyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] ester
OPENEYE Name: [2-(6,7-dimethoxy-1-isoquinolyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] benzoate
IUPAC Name: [2-(6,7-dimethoxyisoquinolin-1-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] benzoate
SYSTEMATIC NAME: [2-(6,7-dimethoxyisoquinolin-1-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] benzoate
MOLECULAR FORMULA: C33H34N2O6
MOLECULAR WEIGHT: 554.63286
SMILES: COC1=C(C=C2C3CC(CCN3CCC2=C1)(C4=NC=CC5=CC(=C(C=C54)OC)OC)OC(=O)C6=CC=CC=C6)OC
Structure:
CAS RN: 77414-74-5
CAS Name: N-propan-2-ylsulfamic acid (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) ester
OPENEYE Name: (4,4,4-trichloro-2-hydroxy-2-phenyl-butyl) N-isopropylsulfamate
IUPAC Name: (4,4,4-trichloro-2-hydroxy-2-phenylbutyl) N-propan-2-ylsulfamate
SYSTEMATIC NAME: [4,4,4-tris(chloranyl)-2-oxidanyl-2-phenyl-butyl] N-propan-2-ylsulfamate
MOLECULAR FORMULA: C13H18Cl3NO4S
MOLECULAR WEIGHT: 390.71032
SMILES: CC(C)NS(=O)(=O)OCC(CC(Cl)(Cl)Cl)(C1=CC=CC=C1)O
Structure:
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