CAS RN: 27287-82-7
CAS Name: 2-[[2-(3,4-dimethoxyphenyl)cyclohexyl]thio]acetic acid
OPENEYE Name: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)cyclohexyl]sulfanylethanoic acid
MOLECULAR FORMULA: C16H22O4S
MOLECULAR WEIGHT: 310.40848
SMILES: COC1=C(C=C(C=C1)C2CCCCC2SCC(=O)O)OC
Structure:
CAS RN: 760-97-4
CAS Name: 1-(3-methoxyphenyl)cycloheptene
OPENEYE Name: 1-(3-methoxyphenyl)cycloheptene
IUPAC Name: 1-(3-methoxyphenyl)cycloheptene
SYSTEMATIC NAME: 1-(3-methoxyphenyl)cycloheptene
MOLECULAR FORMULA: C14H18O
MOLECULAR WEIGHT: 202.29212
SMILES: COC1=CC=CC(=C1)C2=CCCCCC2
Structure:
CAS RN: 93737-43-0
CAS Name: 1-(2-methoxyphenyl)cycloheptene
OPENEYE Name: 1-(2-methoxyphenyl)cycloheptene
IUPAC Name: 1-(2-methoxyphenyl)cycloheptene
SYSTEMATIC NAME: 1-(2-methoxyphenyl)cycloheptene
MOLECULAR FORMULA: C14H18O
MOLECULAR WEIGHT: 202.29212
SMILES: COC1=CC=CC=C1C2=CCCCCC2
Structure:
CAS RN: 89820-09-7
CAS Name: 2-(2-methoxy-4-propylphenoxy)acetic acid
OPENEYE Name: 2-(2-methoxy-4-propyl-phenoxy)acetic acid
IUPAC Name: 2-(2-methoxy-4-propylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-methoxy-4-propyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCCC1=CC(=C(C=C1)OCC(=O)O)OC
Structure:
CAS RN: 20762-32-7
CAS Name: 2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetic acid
OPENEYE Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C6H6N2O3S
MOLECULAR WEIGHT: 186.18844
SMILES: C1=CN=C(NC1=O)SCC(=O)O
Structure:
CAS RN: 29881-53-6
CAS Name: N-[5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
OPENEYE Name: N-[5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
IUPAC Name: N-[5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
SYSTEMATIC NAME: N-[5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanamide
MOLECULAR FORMULA: C10H17NO5
MOLECULAR WEIGHT: 231.24568
SMILES: CC(=O)NC1C(OC2C1OC(O2)(C)C)CO
Structure:
CAS RN: 234-77-5
CAS Name: tetrazolo[1,5-c]quinazoline
OPENEYE Name: tetrazolo[1,5-c]quinazoline
IUPAC Name: tetrazolo[1,5-c]quinazoline
SYSTEMATIC NAME: [1,2,3,4]tetrazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C8H5N5
MOLECULAR WEIGHT: 171.1588
SMILES: C1=CC=C2C(=C1)C3=NN=NN3C=N2
Structure:
CAS RN: 5562-75-4
CAS Name: [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene
OPENEYE Name: [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene
IUPAC Name: [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene
SYSTEMATIC NAME: [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene
MOLECULAR FORMULA: C25H34
MOLECULAR WEIGHT: 334.53746
SMILES: C1CCC(C1)CCCC(CCC2=CC=CC=C2)CCC3=CC=CC=C3
Structure:
CAS RN: 23436-73-9
CAS Name: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
OPENEYE Name: 1,5-dimethylbenzothiopheno[2,3-g]isoquinoline
IUPAC Name: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
SYSTEMATIC NAME: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
MOLECULAR FORMULA: C17H13NS
MOLECULAR WEIGHT: 263.35682
SMILES: CC1=C2C(=CC3=C1C=CN=C3C)C4=CC=CC=C4S2
Structure:
CAS RN: 23517-56-8
CAS Name: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
OPENEYE Name: 1,5-dimethylbenzothiopheno[2,3-g]isoquinoline
IUPAC Name: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
SYSTEMATIC NAME: 1,5-dimethyl-[1]benzothiolo[2,3-g]isoquinoline
MOLECULAR FORMULA: C17H13NS
MOLECULAR WEIGHT: 263.35682
SMILES: CC1=C2C(=CC3=C1C=CN=C3C)C4=CC=CC=C4S2
Structure:
CAS RN: 26960-66-7
CAS Name: 1-[(4-chlorophenyl)methyl]indole-2,3-dione
OPENEYE Name: 1-[(4-chlorophenyl)methyl]indoline-2,3-dione
IUPAC Name: 1-[(4-chlorophenyl)methyl]indole-2,3-dione
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]indole-2,3-dione
MOLECULAR FORMULA: C15H10ClNO2
MOLECULAR WEIGHT: 271.6984
SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 35966-87-1
CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-N'-phenylmethoxy-4-imidazolecarboximidamide
OPENEYE Name: 5-amino-N'-benzyloxy-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamidine
IUPAC Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-phenylmethoxyimidazole-4-carboximidamide
SYSTEMATIC NAME: 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N'-phenylmethoxy-imidazole-4-carboximidamide
MOLECULAR FORMULA: C16H21N5O5
MOLECULAR WEIGHT: 363.36844
SMILES: C1=CC=C(C=C1)CON=C(C2=C(N(C=N2)C3C(C(C(O3)CO)O)O)N)N
Structure:
CAS RN: 40297-54-9
CAS Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H18N6O6
MOLECULAR WEIGHT: 402.36142
SMILES: C1=CC(=CC=C1CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
Structure:
CAS RN: 33619-34-0
CAS Name: 1,4,5-triphenyltriazole
OPENEYE Name: 1,4,5-triphenyltriazole
IUPAC Name: 1,4,5-triphenyltriazole
SYSTEMATIC NAME: 1,4,5-triphenyl-1,2,3-triazole
MOLECULAR FORMULA: C20H15N3
MOLECULAR WEIGHT: 297.3532
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 13440-25-0
CAS Name: (1,2-dinitro-2-phenylethyl)benzene
OPENEYE Name: (1,2-dinitro-2-phenyl-ethyl)benzene
IUPAC Name: (1,2-dinitro-2-phenylethyl)benzene
SYSTEMATIC NAME: (1,2-dinitro-2-phenyl-ethyl)benzene
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3646-30-8
CAS Name: 2-(3,3,5,5-tetranitro-1-piperidinyl)acetic acid
OPENEYE Name: 2-(3,3,5,5-tetranitro-1-piperidyl)acetic acid
IUPAC Name: 2-(3,3,5,5-tetranitropiperidin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,3,5,5-tetranitropiperidin-1-yl)ethanoic acid
MOLECULAR FORMULA: C7H9N5O10
MOLECULAR WEIGHT: 323.17386
SMILES: C1C(CN(CC1([N+](=O)[O-])[N+](=O)[O-])CC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 25672-97-3
CAS Name: 2-(aminomethyl)benzoic acid
OPENEYE Name: 2-(aminomethyl)benzoic acid
IUPAC Name: 2-(aminomethyl)benzoic acid
SYSTEMATIC NAME: 2-(aminomethyl)benzoic acid
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1=CC=C(C(=C1)CN)C(=O)O
Structure:
CAS RN: 35393-95-4
CAS Name: 3,4-dimethyl-1-phenylpyrrolidine-2,5-dione
OPENEYE Name: 3,4-dimethyl-1-phenyl-pyrrolidine-2,5-dione
IUPAC Name: 3,4-dimethyl-1-phenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3,4-dimethyl-1-phenyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1C(C(=O)N(C1=O)C2=CC=CC=C2)C
Structure:
CAS RN: 6112-10-3
CAS Name: 3,4-dimethyl-1-phenylpyrrolidine-2,5-dione
OPENEYE Name: 3,4-dimethyl-1-phenyl-pyrrolidine-2,5-dione
IUPAC Name: 3,4-dimethyl-1-phenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3,4-dimethyl-1-phenyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1C(C(=O)N(C1=O)C2=CC=CC=C2)C
Structure:
CAS RN: 6705-03-9
CAS Name: 2-amino-5-methoxybenzoic acid
OPENEYE Name: 2-amino-5-methoxy-benzoic acid
IUPAC Name: 2-amino-5-methoxybenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-methoxy-benzoic acid
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COC1=CC(=C(C=C1)N)C(=O)O
Structure:
CAS RN: 727-71-9
CAS Name: 4-amino-3,5-dinitrobenzoic acid
OPENEYE Name: 4-amino-3,5-dinitro-benzoic acid
IUPAC Name: 4-amino-3,5-dinitrobenzoic acid
SYSTEMATIC NAME: 4-azanyl-3,5-dinitro-benzoic acid
MOLECULAR FORMULA: C7H5N3O6
MOLECULAR WEIGHT: 227.1311
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 19263-11-7
CAS Name: 2-[(2-methylphenyl)methyl]butanedioic acid
OPENEYE Name: 2-(o-tolylmethyl)butanedioic acid
IUPAC Name: 2-[(2-methylphenyl)methyl]butanedioic acid
SYSTEMATIC NAME: 2-[(2-methylphenyl)methyl]butanedioic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CC1=CC=CC=C1CC(CC(=O)O)C(=O)O
Structure:
CAS RN: 67963-06-8
CAS Name: 1,2,3,4-tetrahydroquinolin-4-ylmethanol
OPENEYE Name: 1,2,3,4-tetrahydroquinolin-4-ylmethanol
IUPAC Name: 1,2,3,4-tetrahydroquinolin-4-ylmethanol
SYSTEMATIC NAME: 1,2,3,4-tetrahydroquinolin-4-ylmethanol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1CNC2=CC=CC=C2C1CO
Structure:
CAS RN: 22506-55-4
CAS Name: 2,3-dimethoxyanthracene-9,10-dione
OPENEYE Name: 2,3-dimethoxyanthracene-9,10-dione
IUPAC Name: 2,3-dimethoxyanthracene-9,10-dione
SYSTEMATIC NAME: 2,3-dimethoxyanthracene-9,10-dione
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC
Structure:
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