CAS RN: 139459-42-0
CAS Name: 1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-indan-2-yl-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-nitroso-urea
MOLECULAR FORMULA: C12H14ClN3O2
MOLECULAR WEIGHT: 267.71146
SMILES: C1C(CC2=CC=CC=C21)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 13909-67-6
CAS Name: 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-norbornan-2-yl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxidanylidene-2-bicyclo[2.2.1]heptanyl]urea
MOLECULAR FORMULA: C13H21ClN2O2
MOLECULAR WEIGHT: 272.77104
SMILES: C[C@]12CC[C@@H](C1(C)C)[C@H](C2=O)NC(=O)NCCCl
Structure:
CAS RN: 139264-82-7
CAS Name: 1-(2-chloroethyl)-3-[4-[4-[[(2-chloroethylamino)-oxomethyl]amino]phenoxy]phenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea
MOLECULAR FORMULA: C18H20Cl2N4O3
MOLECULAR WEIGHT: 411.2824
SMILES: C1=CC(=CC=C1NC(=O)NCCCl)OC2=CC=C(C=C2)NC(=O)NCCCl
Structure:
CAS RN: 150151-14-7
CAS Name: 1-(1-adamantyl)-3-(2-fluoroethyl)urea
OPENEYE Name: 1-(1-adamantyl)-3-(2-fluoroethyl)urea
IUPAC Name: 1-(1-adamantyl)-3-(2-fluoroethyl)urea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-(2-fluoranylethyl)urea
MOLECULAR FORMULA: C13H21FN2O
MOLECULAR WEIGHT: 240.317043
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCF
Structure:
CAS RN: 6742-07-0
CAS Name: acetic acid [3,4-diacetyloxy-5-(4-amino-2-oxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19N3O8
MOLECULAR WEIGHT: 369.32666
SMILES: CC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 2618-77-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H50N2O10
MOLECULAR WEIGHT: 694.811
SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C
Structure:
CAS RN: 26000-16-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H50N2O10
MOLECULAR WEIGHT: 694.811
SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C
Structure:
CAS RN: 487-27-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CN1C2CC3CC1C(C2O)O3
Structure:
CAS RN: 20570-07-4
CAS Name: 2-chloro-N-(2-chloro-2-phenylethyl)-2-phenyl-N-(sulfinylamino)ethanamine
OPENEYE Name: 2-chloro-N-(2-chloro-2-phenyl-ethyl)-2-phenyl-N-(sulfinylamino)ethanamine
IUPAC Name: 2-chloro-N-(2-chloro-2-phenylethyl)-2-phenyl-N-(sulfinylamino)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloranyl-2-phenyl-ethyl)-2-phenyl-N-(sulfinylamino)ethanamine
MOLECULAR FORMULA: C16H16Cl2N2OS
MOLECULAR WEIGHT: 355.28204
SMILES: C1=CC=C(C=C1)C(CN(CC(C2=CC=CC=C2)Cl)N=S=O)Cl
Structure:
CAS RN: 20667-04-3
CAS Name: 2-chloro-N-(2-chloroprop-2-enyl)-N-(sulfinylamino)-2-propen-1-amine
OPENEYE Name: 2-chloro-N-(2-chloroallyl)-N-(sulfinylamino)prop-2-en-1-amine
IUPAC Name: 2-chloro-N-(2-chloroprop-2-enyl)-N-(sulfinylamino)prop-2-en-1-amine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloranylprop-2-enyl)-N-(sulfinylamino)prop-2-en-1-amine
MOLECULAR FORMULA: C6H8Cl2N2OS
MOLECULAR WEIGHT: 227.11152
SMILES: C=C(CN(CC(=C)Cl)N=S=O)Cl
Structure:
CAS RN: 20665-95-6
CAS Name: 2-chloro-N-methyl-N-(sulfinylamino)ethanamine
OPENEYE Name: 2-chloro-N-methyl-N-(sulfinylamino)ethanamine
IUPAC Name: 2-chloro-N-methyl-N-(sulfinylamino)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-methyl-N-(sulfinylamino)ethanamine
MOLECULAR FORMULA: C3H7ClN2OS
MOLECULAR WEIGHT: 154.61848
SMILES: CN(CCCl)N=S=O
Structure:
CAS RN: 66202-86-6
CAS Name: 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)tetralin-2-carboxylate
IUPAC Name: ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 6,7-dimethoxy-3-methyl-4-oxidanylidene-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate
MOLECULAR FORMULA: C25H30O8
MOLECULAR WEIGHT: 458.5009
SMILES: CCOC(=O)C1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C
Structure:
CAS RN: 16275-25-5
CAS Name: (2R,4R)-4-hydroxy-2-piperidinecarboxylic acid
OPENEYE Name: (2R,4R)-4-hydroxypiperidine-2-carboxylic acid
IUPAC Name: (2R,4R)-4-hydroxypiperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,4R)-4-oxidanylpiperidine-2-carboxylic acid
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: C1CN[C@H](C[C@@H]1O)C(=O)O
Structure:
CAS RN: 16885-94-2
CAS Name: 1-propylindole
OPENEYE Name: 1-propylindole
IUPAC Name: 1-propylindole
SYSTEMATIC NAME: 1-propylindole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCCN1C=CC2=CC=CC=C21
Structure:
CAS RN: 10604-59-8
CAS Name: 1-ethylindole
OPENEYE Name: 1-ethylindole
IUPAC Name: 1-ethylindole
SYSTEMATIC NAME: 1-ethylindole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CCN1C=CC2=CC=CC=C21
Structure:
CAS RN: 156199-51-8
CAS Name: acetic acid [(3S,5R,6R,8R,9S,10S,13R,14S,17R)-6-chloro-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5R,6R,8R,9S,10S,13R,14S,17R)-6-chloro-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5R,6R,8R,9S,10S,13R,14S,17R)-6-chloro-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,6R,8R,9S,10S,13R,14S,17R)-6-chloranyl-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H33ClO7
MOLECULAR WEIGHT: 480.97832
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3C[C@H]([C@]2(C1)O)Cl)O)C5=CC(=O)OC5)C)C=O
Structure:
CAS RN: 40004-63-5
CAS Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C12H22O6
MOLECULAR WEIGHT: 262.29948
SMILES: CC1(OCC(O1)C(C2C(OC(O2)(C)C)CO)O)C
Structure:
CAS RN: 4239-69-4
CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester
OPENEYE Name: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
IUPAC Name: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H20O7S4
MOLECULAR WEIGHT: 464.5965
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)C4CSC(=S=O)S4
Structure:
CAS RN: 2946-03-4
CAS Name: [[[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-sulfanylidenemethyl]disulfanyl]methanethioic acid O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] es
OPENEYE Name: O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] [[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbothioyldisulfanyl]methanethioate
IUPAC Name: O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] [[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbothioyldisulfanyl]methanethioate
SYSTEMATIC NAME: O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] [[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxycarbothioyldisulfanyl]methanethioate
MOLECULAR FORMULA: C26H38O12S4
MOLECULAR WEIGHT: 670.83272
SMILES: CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OC(=S)SSC(=S)OC4C(OC5C4OC(O5)(C)C)C6COC(O6)(C)C)C
Structure:
CAS RN: 102432-26-8
CAS Name: 1-cyclohexenyl-methylimino-oxidoammonium
OPENEYE Name: cyclohexen-1-yl-methylimino-oxido-ammonium
IUPAC Name: cyclohexen-1-yl-methylimino-oxidoazanium
SYSTEMATIC NAME: cyclohexen-1-yl-methylimino-oxidanidyl-azanium
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: CN=[N+](C1=CCCCC1)[O-]
Structure:
CAS RN: 548-32-3
CAS Name: benzoic acid [4-benzoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester
OPENEYE Name: [4-benzoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] benzoate
IUPAC Name: [4-benzoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] benzoate
SYSTEMATIC NAME: [2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanylidene)-4-(phenylcarbonyloxy)cyclohexa-1,4-dien-1-yl] benzoate
MOLECULAR FORMULA: C32H20O8
MOLECULAR WEIGHT: 532.4964
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C(=O)C(=C(C2=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O
Structure:
CAS RN: 16833-25-3
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrrole-2,5-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C9H11NO6
MOLECULAR WEIGHT: 229.18674
SMILES: C1=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 16755-07-0
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrrole-2,5-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C9H11NO6
MOLECULAR WEIGHT: 229.18674
SMILES: C1=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 13094-50-3
CAS Name: 1-(3-bromopropoxy)-4-nitrobenzene
OPENEYE Name: 1-(3-bromopropoxy)-4-nitro-benzene
IUPAC Name: 1-(3-bromopropoxy)-4-nitrobenzene
SYSTEMATIC NAME: 1-(3-bromanylpropoxy)-4-nitro-benzene
MOLECULAR FORMULA: C9H10BrNO3
MOLECULAR WEIGHT: 260.0846
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCBr
Structure:
CAS RN: 131184-64-0
CAS Name: 1-(3-bromopropoxy)-4-nitrobenzene
OPENEYE Name: 1-(3-bromopropoxy)-4-nitro-benzene
IUPAC Name: 1-(3-bromopropoxy)-4-nitrobenzene
SYSTEMATIC NAME: 1-(3-bromanylpropoxy)-4-nitro-benzene
MOLECULAR FORMULA: C9H10BrNO3
MOLECULAR WEIGHT: 260.0846
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCBr
Structure:
CAS RN: 4116-42-1
CAS Name: 4-[[2-(2,4-dioxo-1-pyrimidinyl)-1-oxoethyl]amino]-2-hydroxybenzoic acid
OPENEYE Name: 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxy-benzoic acid
IUPAC Name: 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoylamino]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C13H11N3O6
MOLECULAR WEIGHT: 305.24294
SMILES: C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O
Structure:
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