CAS RN: 19767-89-6
CAS Name: 1-(2-oxo-3-oxolanyl)pyrimidine-2,4-dione
OPENEYE Name: 1-(2-oxotetrahydrofuran-3-yl)pyrimidine-2,4-dione
IUPAC Name: 1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(2-oxidanylideneoxolan-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: C1COC(=O)C1N2C=CC(=O)NC2=O
Structure:
CAS RN: 51379-25-0
CAS Name: 3-(6-aminopurin-9-yl)-1-(2-hydroxyethyl)-2-pyrrolidinone
OPENEYE Name: 3-(6-aminopurin-9-yl)-1-(2-hydroxyethyl)pyrrolidin-2-one
IUPAC Name: 3-(6-aminopurin-9-yl)-1-(2-hydroxyethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 3-(6-aminopurin-9-yl)-1-(2-hydroxyethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H14N6O2
MOLECULAR WEIGHT: 262.26786
SMILES: C1CN(C(=O)C1N2C=NC3=C2N=CN=C3N)CCO
Structure:
CAS RN: 5138-32-9
CAS Name: 1-[1-(2-hydroxyethyl)-2-oxo-3-pyrrolidinyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[1-(2-hydroxyethyl)-2-oxo-pyrrolidin-3-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[1-(2-hydroxyethyl)-2-oxidanylidene-pyrrolidin-3-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13N3O4
MOLECULAR WEIGHT: 239.22792
SMILES: C1CN(C(=O)C1N2C=CC(=O)NC2=O)CCO
Structure:
CAS RN: 31165-13-6
CAS Name: 1-(1,2-dibromo-2-phenylethyl)-4-(trifluoromethyl)benzene
OPENEYE Name: 1-(1,2-dibromo-2-phenyl-ethyl)-4-(trifluoromethyl)benzene
IUPAC Name: 1-(1,2-dibromo-2-phenylethyl)-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-[1,2-bis(bromanyl)-2-phenyl-ethyl]-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C15H11Br2F3
MOLECULAR WEIGHT: 408.05105
SMILES: C1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C(F)(F)F)Br)Br
Structure:
CAS RN: 54885-07-3
CAS Name: 2-oxaspiro[2.5]octane-1-carbothioic acid S-phenyl ester
OPENEYE Name: S-phenyl 2-oxaspiro[2.5]octane-1-carbothioate
IUPAC Name: S-phenyl 2-oxaspiro[2.5]octane-1-carbothioate
SYSTEMATIC NAME: S-phenyl 2-oxaspiro[2.5]octane-1-carbothioate
MOLECULAR FORMULA: C14H16O2S
MOLECULAR WEIGHT: 248.34064
SMILES: C1CCC2(CC1)C(O2)C(=O)SC3=CC=CC=C3
Structure:
CAS RN: 51770-80-0
CAS Name: (5-amino-2-phenyl-1,3-dioxan-5-yl)methanol
OPENEYE Name: (5-amino-2-phenyl-1,3-dioxan-5-yl)methanol
IUPAC Name: (5-amino-2-phenyl-1,3-dioxan-5-yl)methanol
SYSTEMATIC NAME: (5-azanyl-2-phenyl-1,3-dioxan-5-yl)methanol
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: C1C(COC(O1)C2=CC=CC=C2)(CO)N
Structure:
CAS RN: 74949-65-8
CAS Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
OPENEYE Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
IUPAC Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
SYSTEMATIC NAME: 2-(2-methyl-1,3-dioxolan-2-yl)ethanehydrazide
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: CC1(OCCO1)CC(=O)NN
Structure:
CAS RN: 75776-56-6
CAS Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
OPENEYE Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
IUPAC Name: 2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
SYSTEMATIC NAME: 2-(2-methyl-1,3-dioxolan-2-yl)ethanehydrazide
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: CC1(OCCO1)CC(=O)NN
Structure:
CAS RN: 75656-47-2
CAS Name: 3-[3-(3-methoxy-3-oxopropyl)-2-oxocyclohexyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[3-(3-methoxy-3-oxo-propyl)-2-oxo-cyclohexyl]propanoate
IUPAC Name: methyl 3-[3-(3-methoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
SYSTEMATIC NAME: methyl 3-[3-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanylidene-cyclohexyl]propanoate
MOLECULAR FORMULA: C14H22O5
MOLECULAR WEIGHT: 270.32148
SMILES: COC(=O)CCC1CCCC(C1=O)CCC(=O)OC
Structure:
CAS RN: 54593-26-9
CAS Name: 3,5-dimethyl-4-isoxazolecarboxaldehyde
OPENEYE Name: 3,5-dimethylisoxazole-4-carbaldehyde
IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde
SYSTEMATIC NAME: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde
MOLECULAR FORMULA: C6H7NO2
MOLECULAR WEIGHT: 125.12528
SMILES: CC1=C(C(=NO1)C)C=O
Structure:
CAS RN: 19788-36-4
CAS Name: (3,5-dimethyl-4-isoxazolyl)methanol
OPENEYE Name: (3,5-dimethylisoxazol-4-yl)methanol
IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methanol
SYSTEMATIC NAME: (3,5-dimethyl-1,2-oxazol-4-yl)methanol
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: CC1=C(C(=NO1)C)CO
Structure:
CAS RN: 4063-32-5
CAS Name: 6a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d]thiazol-4-one
OPENEYE Name: 6a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d]thiazol-4-one
IUPAC Name: 6a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d][1,3]thiazol-4-one
SYSTEMATIC NAME: 6a-(hydroxymethyl)-2-phenyl-2,3,3a,6-tetrahydrofuro[3,4-d][1,3]thiazol-4-one
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: C1C2(C(C(=O)O1)NC(S2)C3=CC=CC=C3)CO
Structure:
CAS RN: 36209-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: CC12CCC3C(C14C(O4)C(=O)OC2C5=COC=C5)(O3)C
Structure:
CAS RN: 33489-71-3
CAS Name: 5,10-dimethylbenzo[g]isoquinoline
OPENEYE Name: 5,10-dimethylbenzo[g]isoquinoline
IUPAC Name: 5,10-dimethylbenzo[g]isoquinoline
SYSTEMATIC NAME: 5,10-dimethylbenzo[g]isoquinoline
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: CC1=C2C=CN=CC2=C(C3=CC=CC=C13)C
Structure:
CAS RN: 6286-66-4
CAS Name: 8-chloro-2,4-dimethyl-1H-1,5-benzodiazepine
OPENEYE Name: 8-chloro-2,4-dimethyl-1H-1,5-benzodiazepine
IUPAC Name: 8-chloro-2,4-dimethyl-1H-1,5-benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-2,4-dimethyl-1H-1,5-benzodiazepine
MOLECULAR FORMULA: C11H11ClN2
MOLECULAR WEIGHT: 206.67144
SMILES: CC1=CC(=NC2=C(N1)C=C(C=C2)Cl)C
Structure:
CAS RN: 5221-37-4
CAS Name: 2-chloro-N-(2-pyridinyl)acetamide
OPENEYE Name: 2-chloro-N-(2-pyridyl)acetamide
IUPAC Name: 2-chloro-N-pyridin-2-ylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C7H7ClN2O
MOLECULAR WEIGHT: 170.59628
SMILES: C1=CC=NC(=C1)NC(=O)CCl
Structure:
CAS RN: 39561-98-3
CAS Name: 1-phenyl-3-phenylimino-1-butanone
OPENEYE Name: 1-phenyl-3-phenylimino-butan-1-one
IUPAC Name: 1-phenyl-3-phenyliminobutan-1-one
SYSTEMATIC NAME: 1-phenyl-3-phenylimino-butan-1-one
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CC(=NC1=CC=CC=C1)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 25118-23-4
CAS Name: 3-amino-4-hexadecoxybenzoic acid methyl ester
OPENEYE Name: methyl 3-amino-4-hexadecoxy-benzoate
IUPAC Name: methyl 3-amino-4-hexadecoxybenzoate
SYSTEMATIC NAME: methyl 3-azanyl-4-hexadecoxy-benzoate
MOLECULAR FORMULA: C24H41NO3
MOLECULAR WEIGHT: 391.58724
SMILES: CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)N
Structure:
CAS RN: 58491-62-6
CAS Name: 2-(3-acetyloxy-2,5-dioxo-3-oxolanyl)acetic acid
OPENEYE Name: 2-(3-acetoxy-2,5-dioxo-tetrahydrofuran-3-yl)acetic acid
IUPAC Name: 2-(3-acetyloxy-2,5-dioxooxolan-3-yl)acetic acid
SYSTEMATIC NAME: 2-[3-acetyloxy-2,5-bis(oxidanylidene)oxolan-3-yl]ethanoic acid
MOLECULAR FORMULA: C8H8O7
MOLECULAR WEIGHT: 216.14492
SMILES: CC(=O)OC1(CC(=O)OC1=O)CC(=O)O
Structure:
CAS RN: 1785-38-2
CAS Name: 1-(4-hexadecoxyphenyl)ethanone
OPENEYE Name: 1-(4-hexadecoxyphenyl)ethanone
IUPAC Name: 1-(4-hexadecoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-hexadecoxyphenyl)ethanone
MOLECULAR FORMULA: C24H40O2
MOLECULAR WEIGHT: 360.5732
SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 37425-83-5
CAS Name: 1-(2-bromoethoxy)-4-butylbenzene
OPENEYE Name: 1-(2-bromoethoxy)-4-butyl-benzene
IUPAC Name: 1-(2-bromoethoxy)-4-butylbenzene
SYSTEMATIC NAME: 1-(2-bromoethyloxy)-4-butyl-benzene
MOLECULAR FORMULA: C12H17BrO
MOLECULAR WEIGHT: 257.16678
SMILES: CCCCC1=CC=C(C=C1)OCCBr
Structure:
CAS RN: 369-32-4
CAS Name: 1-(4-fluoro-3-methylphenyl)ethanone
OPENEYE Name: 1-(4-fluoro-3-methyl-phenyl)ethanone
IUPAC Name: 1-(4-fluoro-3-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-fluoranyl-3-methyl-phenyl)ethanone
MOLECULAR FORMULA: C9H9FO
MOLECULAR WEIGHT: 152.165563
SMILES: CC1=C(C=CC(=C1)C(=O)C)F
Structure:
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