CAS RN: 96018-04-1
CAS Name: 1-ethyl-1-[3-(4-fluorophenyl)-5-isothiazolyl]-3-methyl-3-propan-2-ylurea
OPENEYE Name: 1-ethyl-1-[3-(4-fluorophenyl)isothiazol-5-yl]-3-isopropyl-3-methyl-urea
IUPAC Name: 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propan-2-ylurea
SYSTEMATIC NAME: 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propan-2-yl-urea
MOLECULAR FORMULA: C16H20FN3OS
MOLECULAR WEIGHT: 321.412903
SMILES: CCN(C1=CC(=NS1)C2=CC=C(C=C2)F)C(=O)N(C)C(C)C
Structure:
CAS RN: 96017-97-9
CAS Name: 3-[3-(4-fluorophenyl)-5-isothiazolyl]-1-methoxy-1-methylurea
OPENEYE Name: 3-[3-(4-fluorophenyl)isothiazol-5-yl]-1-methoxy-1-methyl-urea
IUPAC Name: 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
SYSTEMATIC NAME: 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methyl-urea
MOLECULAR FORMULA: C12H12FN3O2S
MOLECULAR WEIGHT: 281.305983
SMILES: CN(C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)F)OC
Structure:
CAS RN: 96017-59-3
CAS Name: 2-prop-2-ynyloctanoic acid
OPENEYE Name: 2-prop-2-ynyloctanoic acid
IUPAC Name: 2-prop-2-ynyloctanoic acid
SYSTEMATIC NAME: 2-prop-2-ynyloctanoic acid
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCCCCCC(CC#C)C(=O)O
Structure:
CAS RN: 113302-01-5
CAS Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine trihydrochloride
OPENEYE Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-ethane-1,2-diamine trihydrochloride
IUPAC Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine trihydrochloride
SYSTEMATIC NAME: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-ethane-1,2-diamine trihydrochloride
MOLECULAR FORMULA: C19H28Cl3N3O
MOLECULAR WEIGHT: 420.80412
SMILES: CCN(CC)CCNC1C2=C(COC3=CC=CC=C13)N=CC=C2.Cl.Cl.Cl
Structure:
CAS RN: 95968-62-0
CAS Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine trihydrochloride
OPENEYE Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-ethane-1,2-diamine trihydrochloride
IUPAC Name: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine trihydrochloride
SYSTEMATIC NAME: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethyl-ethane-1,2-diamine trihydrochloride
MOLECULAR FORMULA: C19H28Cl3N3O
MOLECULAR WEIGHT: 420.80412
SMILES: CCN(CC)CCNC1C2=C(COC3=CC=CC=C13)N=CC=C2.Cl.Cl.Cl
Structure:
CAS RN: 95962-14-4
CAS Name: 2-[2-(4-methyl-1-cyclohex-3-enyl)propyl]-1-cyclopentanone
OPENEYE Name: 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentanone
IUPAC Name: 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
SYSTEMATIC NAME: 2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1=CCC(CC1)C(C)CC2CCCC2=O
Structure:
CAS RN: 95910-39-7
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; 2-[2-[3-[3-(5-carboxy-1,3-dioxo-2-isoindolyl)butan-2-yloxy]propoxy]ethyl]-1,3-dioxo-5-isoindolecarboxylic acid
OPENEYE Name: butane-1,4-diol; 2-[2-[3-[2-(5-carboxy-1,3-dioxo-isoindolin-2-yl)-1-methyl-propoxy]propoxy]ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate
IUPAC Name: butane-1,4-diol; 2-[2-[3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)butan-2-yloxy]propoxy]ethyl]-1,3-dioxoisoindole-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: butane-1,4-diol; 2-[2-[3-[3-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]butan-2-yloxy]propoxy]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C41H46N2O16
MOLECULAR WEIGHT: 822.80774
SMILES: CC(C(C)OCCCOCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCO)CO
Structure:
CAS RN: 95909-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: C1C[C@@H]2CC(N3C4=CC=CC=C4C5=C3[C@@H]2N(C1)CC5)O
Structure:
CAS RN: 95892-10-7
CAS Name: chromium(3+); hydron; 4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)-4-pyrazolyl]azo]-3-oxido-1-naphthalenesulfonate
OPENEYE Name: chromic; hydron; 4-[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-3-oxido-naphthalene-1-sulfonate
IUPAC Name: chromium(3+); hydron; 4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidonaphthalene-1-sulfonate
SYSTEMATIC NAME: chromium(3+); hydron; 4-[[3-methyl-5-oxidanidyl-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate
MOLECULAR FORMULA: C40H29CrN8O16S4
MOLECULAR WEIGHT: 1057.95836
SMILES: [H+].[H+].[H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].[Cr+3]
Structure:
CAS RN: 95882-85-2
CAS Name: 1-methoxy-1-methyl-3-[3-(2-methylpropyl)-5-isothiazolyl]urea
OPENEYE Name: 3-(3-isobutylisothiazol-5-yl)-1-methoxy-1-methyl-urea
IUPAC Name: 1-methoxy-1-methyl-3-[3-(2-methylpropyl)-1,2-thiazol-5-yl]urea
SYSTEMATIC NAME: 1-methoxy-1-methyl-3-[3-(2-methylpropyl)-1,2-thiazol-5-yl]urea
MOLECULAR FORMULA: C10H17N3O2S
MOLECULAR WEIGHT: 243.32588
SMILES: CC(C)CC1=NSC(=C1)NC(=O)N(C)OC
Structure:
CAS RN: 95882-84-1
CAS Name: 1-methyl-3-[3-(2-methylpropyl)-5-isothiazolyl]-1-propan-2-ylurea
OPENEYE Name: 3-(3-isobutylisothiazol-5-yl)-1-isopropyl-1-methyl-urea
IUPAC Name: 1-methyl-3-[3-(2-methylpropyl)-1,2-thiazol-5-yl]-1-propan-2-ylurea
SYSTEMATIC NAME: 1-methyl-3-[3-(2-methylpropyl)-1,2-thiazol-5-yl]-1-propan-2-yl-urea
MOLECULAR FORMULA: C12H21N3OS
MOLECULAR WEIGHT: 255.37964
SMILES: CC(C)CC1=NSC(=C1)NC(=O)N(C)C(C)C
Structure:
CAS RN: 95882-71-6
CAS Name: 3-(3-butan-2-yl-5-isothiazolyl)-1-methoxy-1-methylurea
OPENEYE Name: 1-methoxy-1-methyl-3-(3-sec-butylisothiazol-5-yl)urea
IUPAC Name: 3-(3-butan-2-yl-1,2-thiazol-5-yl)-1-methoxy-1-methylurea
SYSTEMATIC NAME: 3-(3-butan-2-yl-1,2-thiazol-5-yl)-1-methoxy-1-methyl-urea
MOLECULAR FORMULA: C10H17N3O2S
MOLECULAR WEIGHT: 243.32588
SMILES: CCC(C)C1=NSC(=C1)NC(=O)N(C)OC
Structure:
CAS RN: 95882-60-3
CAS Name: 3-(3-tert-butyl-5-isothiazolyl)-1-methyl-1-propan-2-ylurea
OPENEYE Name: 3-(3-tert-butylisothiazol-5-yl)-1-isopropyl-1-methyl-urea
IUPAC Name: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1-methyl-1-propan-2-ylurea
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1-methyl-1-propan-2-yl-urea
MOLECULAR FORMULA: C12H21N3OS
MOLECULAR WEIGHT: 255.37964
SMILES: CC(C)N(C)C(=O)NC1=CC(=NS1)C(C)(C)C
Structure:
CAS RN: 95882-58-9
CAS Name: 3-(3-tert-butyl-5-isothiazolyl)-1,1-diethylurea
OPENEYE Name: 3-(3-tert-butylisothiazol-5-yl)-1,1-diethyl-urea
IUPAC Name: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1,1-diethylurea
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1,1-diethyl-urea
MOLECULAR FORMULA: C12H21N3OS
MOLECULAR WEIGHT: 255.37964
SMILES: CCN(CC)C(=O)NC1=CC(=NS1)C(C)(C)C
Structure:
CAS RN: 95882-57-8
CAS Name: 3-(3-tert-butyl-5-isothiazolyl)-1-ethyl-1-methylurea
OPENEYE Name: 3-(3-tert-butylisothiazol-5-yl)-1-ethyl-1-methyl-urea
IUPAC Name: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1-ethyl-1-methylurea
SYSTEMATIC NAME: 3-(3-tert-butyl-1,2-thiazol-5-yl)-1-ethyl-1-methyl-urea
MOLECULAR FORMULA: C11H19N3OS
MOLECULAR WEIGHT: 241.35306
SMILES: CCN(C)C(=O)NC1=CC(=NS1)C(C)(C)C
Structure:
CAS RN: 95882-55-6
CAS Name: 1-methoxy-1-methyl-3-(3-propan-2-yl-5-isothiazolyl)urea
OPENEYE Name: 3-(3-isopropylisothiazol-5-yl)-1-methoxy-1-methyl-urea
IUPAC Name: 1-methoxy-1-methyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
SYSTEMATIC NAME: 1-methoxy-1-methyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
MOLECULAR FORMULA: C9H15N3O2S
MOLECULAR WEIGHT: 229.2993
SMILES: CC(C)C1=NSC(=C1)NC(=O)N(C)OC
Structure:
CAS RN: 95882-49-8
CAS Name: 1-methoxy-1-methyl-3-(3-propyl-5-isothiazolyl)urea
OPENEYE Name: 1-methoxy-1-methyl-3-(3-propylisothiazol-5-yl)urea
IUPAC Name: 1-methoxy-1-methyl-3-(3-propyl-1,2-thiazol-5-yl)urea
SYSTEMATIC NAME: 1-methoxy-1-methyl-3-(3-propyl-1,2-thiazol-5-yl)urea
MOLECULAR FORMULA: C9H15N3O2S
MOLECULAR WEIGHT: 229.2993
SMILES: CCCC1=NSC(=C1)NC(=O)N(C)OC
Structure:
CAS RN: 95789-30-3
CAS Name: (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-[cyclohexyloxy(oxo)methoxy]ethyl ester dihydrochloride
OPENEYE Name: 1-(cyclohexoxycarbonyloxy)ethyl (6R,7R)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride
IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride
SYSTEMATIC NAME: 1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-[2-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride
MOLECULAR FORMULA: C27H39Cl2N9O7S3
MOLECULAR WEIGHT: 768.75566
SMILES: CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5.Cl.Cl
Structure:
CAS RN: 95754-63-5
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-2-selenazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-5-(4-aminocarbonyl-1,3-selenazol-2-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C19H25N7O14P2Se
MOLECULAR WEIGHT: 716.347822
SMILES: C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)C(=O)N
Structure:
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