CAS RN: 1597-37-1
CAS Name: 5-fluoro-6-(methylamino)-1H-pyrimidin-2-one
OPENEYE Name: 5-fluoro-6-(methylamino)-1H-pyrimidin-2-one
IUPAC Name: 5-fluoro-6-(methylamino)-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-6-(methylamino)-1H-pyrimidin-2-one
MOLECULAR FORMULA: C5H6FN3O
MOLECULAR WEIGHT: 143.119043
SMILES: CNC1=C(C=NC(=O)N1)F
Structure:
CAS RN: 3183-33-3
CAS Name: 2-acetamido-N,N-bis(2-chloroethyl)-4-(methylthio)butanamide
OPENEYE Name: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanyl-butanamide
IUPAC Name: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanylbutanamide
SYSTEMATIC NAME: 2-acetamido-N,N-bis(2-chloroethyl)-4-methylsulfanyl-butanamide
MOLECULAR FORMULA: C11H20Cl2N2O2S
MOLECULAR WEIGHT: 315.2597
SMILES: CC(=O)NC(CCSC)C(=O)N(CCCl)CCCl
Structure:
CAS RN: 3183-26-4
CAS Name: N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]benzamide
OPENEYE Name: N-[2-[bis(2-chloroethyl)amino]-2-oxo-ethyl]benzamide
IUPAC Name: N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-[2-[bis(2-chloroethyl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C13H16Cl2N2O2
MOLECULAR WEIGHT: 303.18434
SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)N(CCCl)CCCl
Structure:
CAS RN: 93432-76-9
CAS Name: 4-[[2-amino-4-(carboxymethylamino)-6-methyl-5-pyrimidinyl]azo]benzoic acid
OPENEYE Name: 4-[2-amino-4-(carboxymethylamino)-6-methyl-pyrimidin-5-yl]azobenzoic acid
IUPAC Name: 4-[[2-amino-4-(carboxymethylamino)-6-methylpyrimidin-5-yl]diazenyl]benzoic acid
SYSTEMATIC NAME: 4-[[2-azanyl-4-(2-hydroxy-2-oxoethylamino)-6-methyl-pyrimidin-5-yl]diazenyl]benzoic acid
MOLECULAR FORMULA: C14H14N6O4
MOLECULAR WEIGHT: 330.29876
SMILES: CC1=C(C(=NC(=N1)N)NCC(=O)O)N=NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 2711-88-8
CAS Name: N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)acetamide
OPENEYE Name: N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)acetamide
IUPAC Name: N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)acetamide
SYSTEMATIC NAME: N-(5-fluoranyl-2-oxidanylidene-1H-pyrimidin-6-yl)ethanamide
MOLECULAR FORMULA: C6H6FN3O2
MOLECULAR WEIGHT: 171.129143
SMILES: CC(=O)NC1=C(C=NC(=O)N1)F
Structure:
CAS RN: 3603-53-0
CAS Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-1-phenylethanol
OPENEYE Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-1-phenyl-ethanol
IUPAC Name: 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-1-phenylethanol
SYSTEMATIC NAME: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]-1-phenyl-ethanol
MOLECULAR FORMULA: C11H14N6O
MOLECULAR WEIGHT: 246.26846
SMILES: C1=CC=C(C=C1)C(CNC2=NC(=NC(=N2)N)N)O
Structure:
CAS RN: 3610-63-7
CAS Name: acetic acid [2-oxo-1-phenyl-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ester
OPENEYE Name: [2-oxo-1-phenyl-2-(1,3,4-thiadiazol-2-ylamino)ethyl] acetate
IUPAC Name: [2-oxo-1-phenyl-2-(1,3,4-thiadiazol-2-ylamino)ethyl] acetate
SYSTEMATIC NAME: [2-oxidanylidene-1-phenyl-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ethanoate
MOLECULAR FORMULA: C12H11N3O3S
MOLECULAR WEIGHT: 277.29904
SMILES: CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=NN=CS2
Structure:
CAS RN: 3895-16-7
CAS Name: acetic acid [2-oxo-1-phenyl-2-(2-pyrimidinylamino)ethyl] ester
OPENEYE Name: [2-oxo-1-phenyl-2-(pyrimidin-2-ylamino)ethyl] acetate
IUPAC Name: [2-oxo-1-phenyl-2-(pyrimidin-2-ylamino)ethyl] acetate
SYSTEMATIC NAME: [2-oxidanylidene-1-phenyl-2-(pyrimidin-2-ylamino)ethyl] ethanoate
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=NC=CC=N2
Structure:
CAS RN: 1480-96-2
CAS Name: 5-fluoro-2-methoxy-1H-pyrimidin-6-one
OPENEYE Name: 5-fluoro-2-methoxy-1H-pyrimidin-6-one
IUPAC Name: 5-fluoro-2-methoxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-fluoranyl-2-methoxy-1H-pyrimidin-6-one
MOLECULAR FORMULA: C5H5FN2O2
MOLECULAR WEIGHT: 144.103803
SMILES: COC1=NC=C(C(=O)N1)F
Structure:
CAS RN: 7409-38-3
CAS Name: 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-(1H-indol-3-yl)propanoate
IUPAC Name: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C27H32Cl2N4O4
MOLECULAR WEIGHT: 547.47338
SMILES: CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)N(CCCl)CCCl)NC=O
Structure:
CAS RN: 4356-71-2
CAS Name: 1,8-bis(methylsulfonylthio)octane
OPENEYE Name: 1,8-bis(methylsulfonylsulfanyl)octane
IUPAC Name: 1,8-bis(methylsulfonylsulfanyl)octane
SYSTEMATIC NAME: 1,8-bis(methylsulfonylsulfanyl)octane
MOLECULAR FORMULA: C10H22O4S4
MOLECULAR WEIGHT: 334.53928
SMILES: CS(=O)(=O)SCCCCCCCCSS(=O)(=O)C
Structure:
CAS RN: 696-83-3
CAS Name: 6-fluoropyrimidine-2,4-diamine
OPENEYE Name: 6-fluoropyrimidine-2,4-diamine
IUPAC Name: 6-fluoropyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-fluoranylpyrimidine-2,4-diamine
MOLECULAR FORMULA: C4H5FN4
MOLECULAR WEIGHT: 128.107703
SMILES: C1=C(N=C(N=C1F)N)N
Structure:
CAS RN: 1770-54-3
CAS Name: 1,1,2,2,3,3,4,4,5,5-decakis-phenylpentasilolane
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5-decakis-phenylpentasilolane
IUPAC Name: 1,1,2,2,3,3,4,4,5,5-decakis-phenylpentasilolane
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5-decakis-phenyl-1,2,3,4,5-pentasilolane
MOLECULAR FORMULA: C60H50Si5
MOLECULAR WEIGHT: 911.4665
SMILES: C1=CC=C(C=C1)[Si]2([Si]([Si]([Si]([Si]2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1
Structure:
CAS RN: 3776-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1([C@H](C[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4CC[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C
Structure:
CAS RN: 1655-51-2
CAS Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C17H14N4O6
MOLECULAR WEIGHT: 370.31626
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 63400-91-9
CAS Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C17H14N4O6
MOLECULAR WEIGHT: 370.31626
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 88394-22-3
CAS Name: N-(3-methyl-4-nitro-5-isothiazolyl)acetamide
OPENEYE Name: N-(3-methyl-4-nitro-isothiazol-5-yl)acetamide
IUPAC Name: N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide
SYSTEMATIC NAME: N-(3-methyl-4-nitro-1,2-thiazol-5-yl)ethanamide
MOLECULAR FORMULA: C6H7N3O3S
MOLECULAR WEIGHT: 201.20308
SMILES: CC1=NSC(=C1[N+](=O)[O-])NC(=O)C
Structure:
CAS RN: 7425-63-0
CAS Name: 3-bromo-2-oxopropanoic acid methyl ester
OPENEYE Name: methyl 3-bromo-2-oxo-propanoate
IUPAC Name: methyl 3-bromo-2-oxopropanoate
SYSTEMATIC NAME: methyl 3-bromanyl-2-oxidanylidene-propanoate
MOLECULAR FORMULA: C4H5BrO3
MOLECULAR WEIGHT: 180.9847
SMILES: COC(=O)C(=O)CBr
Structure:
CAS RN: 3541-25-1
CAS Name: 4-[2-[4-hydroxy-3-(4-morpholinylmethyl)phenyl]propan-2-yl]-2-(4-morpholinylmethyl)phenol
OPENEYE Name: 4-[1-[4-hydroxy-3-(morpholinomethyl)phenyl]-1-methyl-ethyl]-2-(morpholinomethyl)phenol
IUPAC Name: 4-[2-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]propan-2-yl]-2-(morpholin-4-ylmethyl)phenol
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-4-[2-[3-(morpholin-4-ylmethyl)-4-oxidanyl-phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C25H34N2O4
MOLECULAR WEIGHT: 426.54846
SMILES: CC(C)(C1=CC(=C(C=C1)O)CN2CCOCC2)C3=CC(=C(C=C3)O)CN4CCOCC4
Structure:
CAS RN: 5647-07-4
CAS Name: 4-[2-[4-hydroxy-3-(4-morpholinylmethyl)phenyl]propan-2-yl]-2-(4-morpholinylmethyl)phenol
OPENEYE Name: 4-[1-[4-hydroxy-3-(morpholinomethyl)phenyl]-1-methyl-ethyl]-2-(morpholinomethyl)phenol
IUPAC Name: 4-[2-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]propan-2-yl]-2-(morpholin-4-ylmethyl)phenol
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-4-[2-[3-(morpholin-4-ylmethyl)-4-oxidanyl-phenyl]propan-2-yl]phenol
MOLECULAR FORMULA: C25H34N2O4
MOLECULAR WEIGHT: 426.54846
SMILES: CC(C)(C1=CC(=C(C=C1)O)CN2CCOCC2)C3=CC(=C(C=C3)O)CN4CCOCC4
Structure:
CAS RN: 4700-92-9
CAS Name: 1,1-bis(1-aziridinyl)-N-[4-(1-aziridinyl)-6-chloro-1,3,5-triazin-2-yl]methanimine
OPENEYE Name: 1,1-bis(aziridin-1-yl)-N-[4-(aziridin-1-yl)-6-chloro-1,3,5-triazin-2-yl]methanimine
IUPAC Name: 1,1-bis(aziridin-1-yl)-N-[4-(aziridin-1-yl)-6-chloro-1,3,5-triazin-2-yl]methanimine
SYSTEMATIC NAME: 1,1-bis(aziridin-1-yl)-N-[4-(aziridin-1-yl)-6-chloranyl-1,3,5-triazin-2-yl]methanimine
MOLECULAR FORMULA: C10H12ClN7
MOLECULAR WEIGHT: 265.70218
SMILES: C1CN1C2=NC(=NC(=N2)N=C(N3CC3)N4CC4)Cl
Structure:
CAS RN: 4700-93-0
CAS Name: 6-[bis(1-aziridinyl)methylideneamino]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-[bis(aziridin-1-yl)methyleneamino]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-[bis(aziridin-1-yl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[bis(aziridin-1-yl)methylideneamino]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C12H20N8
MOLECULAR WEIGHT: 276.3408
SMILES: CN(C)C1=NC(=NC(=N1)N=C(N2CC2)N3CC3)N(C)C
Structure:
CAS RN: 4753-04-2
CAS Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-chloranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11ClN2O5
MOLECULAR WEIGHT: 262.64704
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Cl
Structure:
CAS RN: 7330-48-5
CAS Name: dibutoxy(phenyl)borane
OPENEYE Name: dibutoxy(phenyl)borane
IUPAC Name: dibutoxy(phenyl)borane
SYSTEMATIC NAME: dibutoxy(phenyl)borane
MOLECULAR FORMULA: C14H23BO2
MOLECULAR WEIGHT: 234.14222
SMILES: B(C1=CC=CC=C1)(OCCCC)OCCCC
Structure:
CAS RN: 78-60-4
CAS Name: 2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane
OPENEYE Name: 2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane
IUPAC Name: 2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane
SYSTEMATIC NAME: 4,4,6-trimethyl-2-oxidanyl-1,3,2-dioxaborinane
MOLECULAR FORMULA: C6H13BO3
MOLECULAR WEIGHT: 143.97662
SMILES: B1(OC(CC(O1)(C)C)C)O
Structure:
CAS RN: 94330-32-2
CAS Name: 2,5-dichloro-N-[(2-methoxy-1-naphthalenyl)methylideneamino]aniline
OPENEYE Name: 2,5-dichloro-N-[(2-methoxy-1-naphthyl)methyleneamino]aniline
IUPAC Name: 2,5-dichloro-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
SYSTEMATIC NAME: 2,5-bis(chloranyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]aniline
MOLECULAR FORMULA: C18H14Cl2N2O
MOLECULAR WEIGHT: 345.22256
SMILES: COC1=C(C2=CC=CC=C2C=C1)C=NNC3=C(C=CC(=C3)Cl)Cl
Structure:
CAS RN: 40707-29-7
CAS Name: 2,3,4,5,6-pentachlorobenzenesulfonic acid
OPENEYE Name: 2,3,4,5,6-pentachlorobenzenesulfonic acid
IUPAC Name: 2,3,4,5,6-pentachlorobenzenesulfonic acid
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(chloranyl)benzenesulfonic acid
MOLECULAR FORMULA: C6HCl5O3S
MOLECULAR WEIGHT: 330.40034
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S(=O)(=O)O
Structure:
CAS RN: 2680-98-0
CAS Name: 4-amino-N-(5-fluoro-2-methoxy-4-pyrimidinyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(5-fluoro-2-methoxy-pyrimidin-4-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-(5-fluoro-2-methoxypyrimidin-4-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H11FN4O3S
MOLECULAR WEIGHT: 298.293443
SMILES: COC1=NC=C(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)F
Structure:
CAS RN: 71387-28-5
CAS Name: propanedioic acid bis(prop-2-ynyl) ester
OPENEYE Name: bis(prop-2-ynyl) propanedioate
IUPAC Name: bis(prop-2-ynyl) propanedioate
SYSTEMATIC NAME: bis(prop-2-ynyl) propanedioate
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C#CCOC(=O)CC(=O)OCC#C
Structure:
CAS RN: 35510-01-1
CAS Name: 1-chloro-2,4-bis(chloromethyl)benzene
OPENEYE Name: 1-chloro-2,4-bis(chloromethyl)benzene
IUPAC Name: 1-chloro-2,4-bis(chloromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2,4-bis(chloromethyl)benzene
MOLECULAR FORMULA: C8H7Cl3
MOLECULAR WEIGHT: 209.50018
SMILES: C1=CC(=C(C=C1CCl)CCl)Cl
Structure:
CAS RN: 90948-25-7
CAS Name: 2,3,6,7-tetrachloronaphthalene-1,4-dione
OPENEYE Name: 2,3,6,7-tetrachloronaphthalene-1,4-dione
IUPAC Name: 2,3,6,7-tetrachloronaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3,6,7-tetrakis(chloranyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C10H2Cl4O2
MOLECULAR WEIGHT: 295.93368
SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)C(=C(C2=O)Cl)Cl
Structure:
No comments:
Post a Comment