CAS RN: 57464-50-3
CAS Name: 4-[[6-(methylthio)-9-purinyl]amino]-1-butanol
OPENEYE Name: 4-[(6-methylsulfanylpurin-9-yl)amino]butan-1-ol
IUPAC Name: 4-[(6-methylsulfanylpurin-9-yl)amino]butan-1-ol
SYSTEMATIC NAME: 4-[(6-methylsulfanylpurin-9-yl)amino]butan-1-ol
MOLECULAR FORMULA: C10H15N5OS
MOLECULAR WEIGHT: 253.324
SMILES: CSC1=NC=NC2=C1N=CN2NCCCCO
Structure:
CAS RN: 59886-12-3
CAS Name: 2-(5-amino-7-methoxy-1-triazolo[4,5-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(5-amino-7-methoxy-triazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(5-amino-7-methoxytriazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(5-azanyl-7-methoxy-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O5
MOLECULAR WEIGHT: 298.25536
SMILES: COC1=NC(=NC2=C1N(N=N2)C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 59886-13-4
CAS Name: 2-(5-amino-7-methoxy-2-triazolo[4,5-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(5-amino-7-methoxy-triazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(5-amino-7-methoxytriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(5-azanyl-7-methoxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O5
MOLECULAR WEIGHT: 298.25536
SMILES: COC1=NC(=NC2=NN(N=C21)C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 61367-20-2
CAS Name: 4-[[(2-fluoroethylamino)-oxomethyl]amino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-(2-fluoroethylcarbamoylamino)cyclohexanecarboxylic acid
IUPAC Name: 4-(2-fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-(2-fluoranylethylcarbamoylamino)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C10H17FN2O3
MOLECULAR WEIGHT: 232.251983
SMILES: C1CC(CCC1C(=O)O)NC(=O)NCCF
Structure:
CAS RN: 61367-13-3
CAS Name: acetic acid [4-[[(2-fluoroethylamino)-oxomethyl]amino]cyclohexyl]methyl ester
OPENEYE Name: [4-(2-fluoroethylcarbamoylamino)cyclohexyl]methyl acetate
IUPAC Name: [4-(2-fluoroethylcarbamoylamino)cyclohexyl]methyl acetate
SYSTEMATIC NAME: [4-(2-fluoranylethylcarbamoylamino)cyclohexyl]methyl ethanoate
MOLECULAR FORMULA: C12H21FN2O3
MOLECULAR WEIGHT: 260.305143
SMILES: CC(=O)OCC1CCC(CC1)NC(=O)NCCF
Structure:
CAS RN: 59886-47-4
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(propylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(propylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(propylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(propylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H24N4O2
MOLECULAR WEIGHT: 304.38736
SMILES: CCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCC)N3CC3
Structure:
CAS RN: 59886-53-2
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(ethylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C14H20N4O2
MOLECULAR WEIGHT: 276.3342
SMILES: CCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCC)N3CC3
Structure:
CAS RN: 72835-25-7
CAS Name: 5-methyl-2-thiophenecarbonitrile
OPENEYE Name: 5-methylthiophene-2-carbonitrile
IUPAC Name: 5-methylthiophene-2-carbonitrile
SYSTEMATIC NAME: 5-methylthiophene-2-carbonitrile
MOLECULAR FORMULA: C6H5NS
MOLECULAR WEIGHT: 123.1756
SMILES: CC1=CC=C(S1)C#N
Structure:
CAS RN: 21392-71-2
CAS Name: N,N-diethyl-1-aziridinecarboxamide
OPENEYE Name: N,N-diethylaziridine-1-carboxamide
IUPAC Name: N,N-diethylaziridine-1-carboxamide
SYSTEMATIC NAME: N,N-diethylaziridine-1-carboxamide
MOLECULAR FORMULA: C7H14N2O
MOLECULAR WEIGHT: 142.19886
SMILES: CCN(CC)C(=O)N1CC1
Structure:
CAS RN: 42930-07-4
CAS Name: N-(4-chlorophenyl)carbamoperoxoic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(4-chlorophenyl)carbamoperoxoate
IUPAC Name: tert-butyl N-(4-chlorophenyl)carbamoperoxoate
SYSTEMATIC NAME: tert-butyl N-(4-chlorophenyl)carbamoperoxoate
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: CC(C)(C)OOC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 27396-21-0
CAS Name: 2-(4-methoxyphenyl)ethaneperoxoic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(4-methoxyphenyl)peroxyacetate
IUPAC Name: tert-butyl 2-(4-methoxyphenyl)ethaneperoxoate
SYSTEMATIC NAME: tert-butyl 2-(4-methoxyphenyl)ethaneperoxoate
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CC(C)(C)OOC(=O)CC1=CC=C(C=C1)OC
Structure:
CAS RN: 7541-17-5
CAS Name: N,N-dimethylcarbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N,N-dimethylcarbamate
IUPAC Name: tert-butyl N,N-dimethylcarbamate
SYSTEMATIC NAME: tert-butyl N,N-dimethylcarbamate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)(C)OC(=O)N(C)C
Structure:
CAS RN: 4485-78-3
CAS Name: (cyclopentyldisulfanyl)cyclopentane
OPENEYE Name: (cyclopentyldisulfanyl)cyclopentane
IUPAC Name: (cyclopentyldisulfanyl)cyclopentane
SYSTEMATIC NAME: (cyclopentyldisulfanyl)cyclopentane
MOLECULAR FORMULA: C10H18S2
MOLECULAR WEIGHT: 202.37992
SMILES: C1CCC(C1)SSC2CCCC2
Structure:
CAS RN: 51981-26-1
CAS Name: 2-[[[di(propan-2-yl)amino]disulfanyl]-propan-2-ylamino]propane
OPENEYE Name: N-[(diisopropylamino)disulfanyl]-N-isopropyl-propan-2-amine
IUPAC Name: N-[[di(propan-2-yl)amino]disulfanyl]-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: N-[[di(propan-2-yl)amino]disulfanyl]-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C12H28N2S2
MOLECULAR WEIGHT: 264.49412
SMILES: CC(C)N(C(C)C)SSN(C(C)C)C(C)C
Structure:
CAS RN: 6542-61-6
CAS Name: 1-(1-pyrrolidinyldisulfanyl)pyrrolidine
OPENEYE Name: 1-(pyrrolidin-1-yldisulfanyl)pyrrolidine
IUPAC Name: 1-(pyrrolidin-1-yldisulfanyl)pyrrolidine
SYSTEMATIC NAME: 1-(pyrrolidin-1-yldisulfanyl)pyrrolidine
MOLECULAR FORMULA: C8H16N2S2
MOLECULAR WEIGHT: 204.35604
SMILES: C1CCN(C1)SSN2CCCC2
Structure:
CAS RN: 605-61-8
CAS Name: 1-chloro-4-nitronaphthalene
OPENEYE Name: 1-chloro-4-nitro-naphthalene
IUPAC Name: 1-chloro-4-nitronaphthalene
SYSTEMATIC NAME: 1-chloranyl-4-nitro-naphthalene
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)[N+](=O)[O-]
Structure:
CAS RN: 23138-64-9
CAS Name: 1-(3-isocyanatophenyl)ethanone
OPENEYE Name: 1-(3-isocyanatophenyl)ethanone
IUPAC Name: 1-(3-isocyanatophenyl)ethanone
SYSTEMATIC NAME: 1-(3-isocyanatophenyl)ethanone
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: CC(=O)C1=CC(=CC=C1)N=C=O
Structure:
CAS RN: 74534-15-9
CAS Name: 1-chloro-2-iodo-4-nitrobenzene
OPENEYE Name: 1-chloro-2-iodo-4-nitro-benzene
IUPAC Name: 1-chloro-2-iodo-4-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-2-iodanyl-4-nitro-benzene
MOLECULAR FORMULA: C6H3ClINO2
MOLECULAR WEIGHT: 283.45099
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])I)Cl
Structure:
CAS RN: 6921-44-4
CAS Name: 1-cyclopropyl-4-nitrobenzene
OPENEYE Name: 1-cyclopropyl-4-nitro-benzene
IUPAC Name: 1-cyclopropyl-4-nitrobenzene
SYSTEMATIC NAME: 1-cyclopropyl-4-nitro-benzene
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1CC1C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 14206-05-4
CAS Name: propaneperoxoic acid tert-butyl ester
OPENEYE Name: tert-butyl propaneperoxoate
IUPAC Name: tert-butyl propaneperoxoate
SYSTEMATIC NAME: tert-butyl propaneperoxoate
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCC(=O)OOC(C)(C)C
Structure:
CAS RN: 30559-47-8
CAS Name: 3-chloropropaneperoxoic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-chloropropaneperoxoate
IUPAC Name: tert-butyl 3-chloropropaneperoxoate
SYSTEMATIC NAME: tert-butyl 3-chloranylpropaneperoxoate
MOLECULAR FORMULA: C7H13ClO3
MOLECULAR WEIGHT: 180.62932
SMILES: CC(C)(C)OOC(=O)CCCl
Structure:
CAS RN: 16504-24-8
CAS Name: bis(1-azepanyl)diazene
OPENEYE Name: bis(azepan-1-yl)diazene
IUPAC Name: bis(azepan-1-yl)diazene
SYSTEMATIC NAME: bis(azepan-1-yl)diazene
MOLECULAR FORMULA: C12H24N4
MOLECULAR WEIGHT: 224.34576
SMILES: C1CCCN(CC1)N=NN2CCCCCC2
Structure:
CAS RN: 23705-43-3
CAS Name: N-propan-2-ylmethanesulfonamide
OPENEYE Name: N-isopropylmethanesulfonamide
IUPAC Name: N-propan-2-ylmethanesulfonamide
SYSTEMATIC NAME: N-propan-2-ylmethanesulfonamide
MOLECULAR FORMULA: C4H11NO2S
MOLECULAR WEIGHT: 137.20064
SMILES: CC(C)NS(=O)(=O)C
Structure:
CAS RN: 6093-51-2
CAS Name: N-chloro-2-methyl-N-(2-methylpropyl)-1-propanamine
OPENEYE Name: N-chloro-N-isobutyl-2-methyl-propan-1-amine
IUPAC Name: N-chloro-2-methyl-N-(2-methylpropyl)propan-1-amine
SYSTEMATIC NAME: N-chloranyl-2-methyl-N-(2-methylpropyl)propan-1-amine
MOLECULAR FORMULA: C8H18ClN
MOLECULAR WEIGHT: 163.68822
SMILES: CC(C)CN(CC(C)C)Cl
Structure:
CAS RN: 1781-66-4
CAS Name: 4-bromocyclopentene
OPENEYE Name: 4-bromocyclopentene
IUPAC Name: 4-bromocyclopentene
SYSTEMATIC NAME: 4-bromanylcyclopentene
MOLECULAR FORMULA: C5H7Br
MOLECULAR WEIGHT: 147.01308
SMILES: C1C=CCC1Br
Structure:
CAS RN: 33744-04-6
CAS Name: 1-chloro-2-pyrrolidinone
OPENEYE Name: 1-chloropyrrolidin-2-one
IUPAC Name: 1-chloropyrrolidin-2-one
SYSTEMATIC NAME: 1-chloranylpyrrolidin-2-one
MOLECULAR FORMULA: C4H6ClNO
MOLECULAR WEIGHT: 119.54954
SMILES: C1CC(=O)N(C1)Cl
Structure:
CAS RN: 26209-45-0
CAS Name: 2,2-dimethyl-N-(phenylmethyl)propanamide
OPENEYE Name: N-benzyl-2,2-dimethyl-propanamide
IUPAC Name: N-benzyl-2,2-dimethylpropanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CC(C)(C)C(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 16507-09-8
CAS Name: 3,4-dimethyl-4-nitropentanoic acid methyl ester
OPENEYE Name: methyl 3,4-dimethyl-4-nitro-pentanoate
IUPAC Name: methyl 3,4-dimethyl-4-nitropentanoate
SYSTEMATIC NAME: methyl 3,4-dimethyl-4-nitro-pentanoate
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CC(CC(=O)OC)C(C)(C)[N+](=O)[O-]
Structure:
CAS RN: 2876-08-6
CAS Name: 1,2-dimethylbenzimidazole
OPENEYE Name: 1,2-dimethylbenzimidazole
IUPAC Name: 1,2-dimethylbenzimidazole
SYSTEMATIC NAME: 1,2-dimethylbenzimidazole
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=NC2=CC=CC=C2N1C
Structure:
CAS RN: 27258-70-4
CAS Name: tetrakis(2-phenylethynyl)germane
OPENEYE Name: tetrakis(2-phenylethynyl)germane
IUPAC Name: tetrakis(2-phenylethynyl)germane
SYSTEMATIC NAME: tetrakis(2-phenylethynyl)germane
MOLECULAR FORMULA: C32H20Ge
MOLECULAR WEIGHT: 477.1412
SMILES: C1=CC=C(C=C1)C#C[Ge](C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)C#CC4=CC=CC=C4
Structure:
CAS RN: 6088-96-6
CAS Name: penta-1,4-diynylbenzene
OPENEYE Name: penta-1,4-diynylbenzene
IUPAC Name: penta-1,4-diynylbenzene
SYSTEMATIC NAME: penta-1,4-diynylbenzene
MOLECULAR FORMULA: C11H8
MOLECULAR WEIGHT: 140.18122
SMILES: C#CCC#CC1=CC=CC=C1
Structure:
CAS RN: 1085-99-0
CAS Name: trimethyl-(1-trimethylsilyl-1,2-dihydronaphthalen-2-yl)silane
OPENEYE Name: trimethyl-(1-trimethylsilyl-1,2-dihydronaphthalen-2-yl)silane
IUPAC Name: trimethyl-(1-trimethylsilyl-1,2-dihydronaphthalen-2-yl)silane
SYSTEMATIC NAME: trimethyl-(1-trimethylsilyl-1,2-dihydronaphthalen-2-yl)silane
MOLECULAR FORMULA: C16H26Si2
MOLECULAR WEIGHT: 274.54864
SMILES: C[Si](C)(C)C1C=CC2=CC=CC=C2C1[Si](C)(C)C
Structure:
CAS RN: 84143-36-2
CAS Name: 3-heptene-1,7-diol
OPENEYE Name: hept-3-ene-1,7-diol
IUPAC Name: hept-3-ene-1,7-diol
SYSTEMATIC NAME: hept-3-ene-1,7-diol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: C(CC=CCCO)CO
Structure:
CAS RN: 4203-44-5
CAS Name: 2-phenyloxane
OPENEYE Name: 2-phenyltetrahydropyran
IUPAC Name: 2-phenyloxane
SYSTEMATIC NAME: 2-phenyloxane
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: C1CCOC(C1)C2=CC=CC=C2
Structure:
CAS RN: 1974-53-4
CAS Name: 2,5-dioxopyrrole-3,4-dicarbonitrile
OPENEYE Name: 2,5-dioxopyrrole-3,4-dicarbonitrile
IUPAC Name: 2,5-dioxopyrrole-3,4-dicarbonitrile
SYSTEMATIC NAME: 2,5-bis(oxidanylidene)pyrrole-3,4-dicarbonitrile
MOLECULAR FORMULA: C6HN3O2
MOLECULAR WEIGHT: 147.09104
SMILES: C(#N)C1=C(C(=O)NC1=O)C#N
Structure:
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