CAS RN: 19013-11-7
CAS Name: (2,4-diethoxy-5-pyrimidinyl)-(4-fluorophenyl)methanone
OPENEYE Name: (2,4-diethoxypyrimidin-5-yl)-(4-fluorophenyl)methanone
IUPAC Name: (2,4-diethoxypyrimidin-5-yl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (2,4-diethoxypyrimidin-5-yl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C15H15FN2O3
MOLECULAR WEIGHT: 290.289603
SMILES: CCOC1=NC(=NC=C1C(=O)C2=CC=C(C=C2)F)OCC
Structure:
CAS RN: 433-28-3
CAS Name: 1-(2,4-dinitrophenoxy)-2,3-dimethylbenzene
OPENEYE Name: 1-(2,4-dinitrophenoxy)-2,3-dimethyl-benzene
IUPAC Name: 1-(2,4-dinitrophenoxy)-2,3-dimethylbenzene
SYSTEMATIC NAME: 1-(2,4-dinitrophenoxy)-2,3-dimethyl-benzene
MOLECULAR FORMULA: C14H12N2O5
MOLECULAR WEIGHT: 288.25548
SMILES: CC1=C(C(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 23714-40-1
CAS Name: acetic acid [5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(trityloxymethyl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C31H30N2O6
MOLECULAR WEIGHT: 526.5797
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C
Structure:
CAS RN: 23094-81-7
CAS Name: 5-fluoro-1-[4-hydroxy-5-(mercaptomethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[4-hydroxy-5-(sulfanylmethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O4S
MOLECULAR WEIGHT: 262.258043
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CS)O
Structure:
CAS RN: 17696-64-9
CAS Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-1-pyrimidinyl]butanoic acid
OPENEYE Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-pyrimidin-1-yl]butanoic acid
IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoic acid
SYSTEMATIC NAME: 4-[5-[bis(2-chloroethyl)amino]-2,4-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
MOLECULAR FORMULA: C12H17Cl2N3O4
MOLECULAR WEIGHT: 338.18708
SMILES: C1=C(C(=O)NC(=O)N1CCCC(=O)O)N(CCCl)CCCl
Structure:
CAS RN: 6275-62-3
CAS Name: benzenesulfonic acid 2-[N-[2-(benzenesulfonyloxy)ethyl]anilino]ethyl ester
OPENEYE Name: 2-[N-[2-(benzenesulfonyloxy)ethyl]anilino]ethyl benzenesulfonate
IUPAC Name: 2-[N-[2-(benzenesulfonyloxy)ethyl]anilino]ethyl benzenesulfonate
SYSTEMATIC NAME: 2-[phenyl-[2-(phenylsulfonyloxy)ethyl]amino]ethyl benzenesulfonate
MOLECULAR FORMULA: C22H23NO6S2
MOLECULAR WEIGHT: 461.55112
SMILES: C1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=CC=C2)CCOS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 13698-28-7
CAS Name: acetic acid 5-anilinopentyl ester
OPENEYE Name: 5-anilinopentyl acetate
IUPAC Name: 5-anilinopentyl acetate
SYSTEMATIC NAME: 5-phenylazanylpentyl ethanoate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CC(=O)OCCCCCNC1=CC=CC=C1
Structure:
CAS RN: 5034-75-3
CAS Name: 1-amino-2-phenyl-1-cyclohexanecarboxylic acid
OPENEYE Name: 1-amino-2-phenyl-cyclohexanecarboxylic acid
IUPAC Name: 1-amino-2-phenylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-2-phenyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CCC(C(C1)C2=CC=CC=C2)(C(=O)O)N
Structure:
CAS RN: 5007-32-9
CAS Name: 1-amino-2-phenyl-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-amino-2-phenyl-cyclopentanecarboxylic acid
IUPAC Name: 1-amino-2-phenylcyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-2-phenyl-cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CC(C(C1)(C(=O)O)N)C2=CC=CC=C2
Structure:
CAS RN: 5943-39-5
CAS Name: N-[2-[4-(2-acetamidoethylthio)sulfonylbutylsulfonylthio]ethyl]acetamide
OPENEYE Name: N-[2-[4-(2-acetamidoethylsulfanylsulfonyl)butylsulfonylsulfanyl]ethyl]acetamide
IUPAC Name: N-[2-[4-(2-acetamidoethylsulfanylsulfonyl)butylsulfonylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[4-(2-acetamidoethylsulfanylsulfonyl)butylsulfonylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C12H24N2O6S4
MOLECULAR WEIGHT: 420.58876
SMILES: CC(=O)NCCSS(=O)(=O)CCCCS(=O)(=O)SCCNC(=O)C
Structure:
CAS RN: 2365-80-2
CAS Name: 2-amino-5,5,5-trifluoropentanoic acid
OPENEYE Name: 2-amino-5,5,5-trifluoro-pentanoic acid
IUPAC Name: 2-amino-5,5,5-trifluoropentanoic acid
SYSTEMATIC NAME: 2-azanyl-5,5,5-tris(fluoranyl)pentanoic acid
MOLECULAR FORMULA: C5H8F3NO2
MOLECULAR WEIGHT: 171.11773
SMILES: C(CC(F)(F)F)C(C(=O)O)N
Structure:
CAS RN: 9086-40-2
CAS Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-hydroxyethyl)urea
OPENEYE Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-hydroxyethyl)urea
IUPAC Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-hydroxyethyl)urea
SYSTEMATIC NAME: 1-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-(2-hydroxyethyl)urea
MOLECULAR FORMULA: C7H10N4O4
MOLECULAR WEIGHT: 214.1787
SMILES: C1=C(C(=O)NC(=O)N1)NC(=O)NCCO
Structure:
CAS RN: 27894-31-1
CAS Name: 9-(3,4,5-trihydroxy-6-methyl-2-oxanyl)-3H-purin-6-one
OPENEYE Name: 9-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)-3H-purin-6-one
IUPAC Name: 9-(3,4,5-trihydroxy-6-methyloxan-2-yl)-3H-purin-6-one
SYSTEMATIC NAME: 9-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: CC1C(C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)O
Structure:
CAS RN: 4728-00-1
CAS Name: 1-(2-hydroxy-6-methoxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(2-hydroxy-6-methoxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(2-hydroxy-6-methoxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(6-methoxy-3-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: CC(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])OC
Structure:
CAS RN: 6917-48-2
CAS Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,12-hexahydro-3H-naphtho[2,1-f][1]benzopyran-2,8,11-trione
OPENEYE Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,12-hexahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
IUPAC Name: (4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,12-hexahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
SYSTEMATIC NAME: (4aS,4bS,10aS,10bR,12aS)-10b-fluoranyl-10a,12a-dimethyl-4,4a,4b,5,6,12-hexahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
MOLECULAR FORMULA: C19H21FO4
MOLECULAR WEIGHT: 332.366043
SMILES: C[C@]12CC(=O)[C@]3([C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@@]43C)F
Structure:
CAS RN: 22002-86-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H47N
MOLECULAR WEIGHT: 385.66878
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]5[C@@H](C4)N5)C)C
Structure:
CAS RN: 21892-95-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C1C2CC3C1C3C2OC=O
Structure:
CAS RN: 21407-69-2
CAS Name: 1-(2,5-dimethyl-1-pyrrolyl)-2,5-dimethyl-4-nitrosopiperazine
OPENEYE Name: 1-(2,5-dimethylpyrrol-1-yl)-2,5-dimethyl-4-nitroso-piperazine
IUPAC Name: 1-(2,5-dimethylpyrrol-1-yl)-2,5-dimethyl-4-nitrosopiperazine
SYSTEMATIC NAME: 1-(2,5-dimethylpyrrol-1-yl)-2,5-dimethyl-4-nitroso-piperazine
MOLECULAR FORMULA: C12H20N4O
MOLECULAR WEIGHT: 236.3134
SMILES: CC1CN(C(CN1N2C(=CC=C2C)C)C)N=O
Structure:
CAS RN: 13788-72-2
CAS Name: 6-methoxy-1H-quinolin-4-one
OPENEYE Name: 6-methoxy-1H-quinolin-4-one
IUPAC Name: 6-methoxy-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methoxy-1H-quinolin-4-one
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC1=CC2=C(C=C1)NC=CC2=O
Structure:
CAS RN: 498-59-9
CAS Name: 2-amino-3-[[(2-amino-2-carboxyethyl)thio]methylthio]propanoic acid
OPENEYE Name: 2-amino-3-[(2-amino-2-carboxy-ethyl)sulfanylmethylsulfanyl]propanoic acid
IUPAC Name: 2-amino-3-[(2-amino-2-carboxyethyl)sulfanylmethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C7H14N2O4S2
MOLECULAR WEIGHT: 254.32706
SMILES: C(C(C(=O)O)N)SCSCC(C(=O)O)N
Structure:
CAS RN: 5048-30-6
CAS Name: 2-amino-3-[[(2-amino-2-carboxyethyl)thio]methylthio]propanoic acid
OPENEYE Name: 2-amino-3-[(2-amino-2-carboxy-ethyl)sulfanylmethylsulfanyl]propanoic acid
IUPAC Name: 2-amino-3-[(2-amino-2-carboxyethyl)sulfanylmethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C7H14N2O4S2
MOLECULAR WEIGHT: 254.32706
SMILES: C(C(C(=O)O)N)SCSCC(C(=O)O)N
Structure:
CAS RN: 13093-87-3
CAS Name: 2,2-dimethyl-5-(phenylmethyl)-7,7a-dihydro-3H-imidazo[5,1-b]thiazole-3,7-dicarboxylic acid
OPENEYE Name: 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b]thiazole-3,7-dicarboxylic acid
IUPAC Name: 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
SYSTEMATIC NAME: 2,2-dimethyl-5-(phenylmethyl)-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
MOLECULAR FORMULA: C16H18N2O4S
MOLECULAR WEIGHT: 334.39012
SMILES: CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C
Structure:
CAS RN: 4795-29-3
CAS Name: 2-oxolanylmethanamine
OPENEYE Name: tetrahydrofuran-2-ylmethanamine
IUPAC Name: oxolan-2-ylmethanamine
SYSTEMATIC NAME: oxolan-2-ylmethanamine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1CC(OC1)CN
Structure:
CAS RN: 13346-01-5
CAS Name: 2-oxolanylmethanamine
OPENEYE Name: tetrahydrofuran-2-ylmethanamine
IUPAC Name: oxolan-2-ylmethanamine
SYSTEMATIC NAME: oxolan-2-ylmethanamine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1CC(OC1)CN
Structure:
CAS RN: 79-58-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C
Structure:
CAS RN: 753-61-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H23NO8
MOLECULAR WEIGHT: 429.41992
SMILES: CC(=O)O.CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC
Structure:
CAS RN: 74578-01-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H23NO8
MOLECULAR WEIGHT: 429.41992
SMILES: CC(=O)O.CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC
Structure:
CAS RN: 767-62-4
CAS Name: [1,2,4]triazolo[4,3-a]pyridin-3-amine
OPENEYE Name: [1,2,4]triazolo[4,3-a]pyridin-3-amine
IUPAC Name: [1,2,4]triazolo[4,3-a]pyridin-3-amine
SYSTEMATIC NAME: [1,2,4]triazolo[4,3-a]pyridin-3-amine
MOLECULAR FORMULA: C6H6N4
MOLECULAR WEIGHT: 134.13864
SMILES: C1=CC2=NN=C(N2C=C1)N
Structure:
CAS RN: 4926-21-0
CAS Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
OPENEYE Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
IUPAC Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SYSTEMATIC NAME: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: CC1=CC2=NNC(=O)N2C(=C1)C
Structure:
CAS RN: 4055-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19N3O6
MOLECULAR WEIGHT: 349.33856
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)OC
Structure:
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