CAS RN: 26124-80-1
CAS Name: 2-[(2-amino-5-carbamoyloxy-4-hydroxy-1-oxopentyl)amino]-2-[3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]acetic acid
OPENEYE Name: 2-[(2-amino-5-carbamoyloxy-4-hydroxy-pentanoyl)amino]-2-[3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetic acid
IUPAC Name: 2-[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-2-[3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(5-aminocarbonyloxy-2-azanyl-4-oxidanyl-pentanoyl)amino]-2-[5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
MOLECULAR FORMULA: C17H25N5O12
MOLECULAR WEIGHT: 491.4067
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O)NC(=O)C(CC(COC(=O)N)O)N)O)O)CO
Structure:
CAS RN: 24753-15-9
CAS Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
OPENEYE Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane
IUPAC Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SYSTEMATIC NAME: (3S)-3-[fluoranyl(methyl)phosphoryl]oxy-2,2-dimethyl-butane
MOLECULAR FORMULA: C7H16FO2P
MOLECULAR WEIGHT: 182.172904
SMILES: C[C@@H](C(C)(C)C)OP(=O)(C)F
Structure:
CAS RN: 24753-16-0
CAS Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
OPENEYE Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane
IUPAC Name: (3S)-3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SYSTEMATIC NAME: (3S)-3-[fluoranyl(methyl)phosphoryl]oxy-2,2-dimethyl-butane
MOLECULAR FORMULA: C7H16FO2P
MOLECULAR WEIGHT: 182.172904
SMILES: C[C@@H](C(C)(C)C)OP(=O)(C)F
Structure:
CAS RN: 25944-28-9
CAS Name: methylsulfinylmethane; platinum(2+); pyridine; dichloride
OPENEYE Name: methylsulfinylmethane; platinum(2+); pyridine; dichloride
IUPAC Name: methylsulfinylmethane; platinum(2+); pyridine; dichloride
SYSTEMATIC NAME: methylsulfinylmethane; platinum(2+); pyridine; dichloride
MOLECULAR FORMULA: C7H11Cl2NOPtS
MOLECULAR WEIGHT: 423.21734
SMILES: CS(=O)C.C1=CC=NC=C1.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 22632-00-4
CAS Name: 2-(2-chloro-10-phenothiazinyl)-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-(2-chlorophenothiazin-10-yl)-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C16H18Cl2N2S
MOLECULAR WEIGHT: 341.29852
SMILES: CN(C)CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
Structure:
CAS RN: 22541-88-4
CAS Name: ruthenium(3+)
OPENEYE Name: ruthenium(3+)
IUPAC Name: ruthenium(3+)
SYSTEMATIC NAME: ruthenium(3+)
MOLECULAR FORMULA: Ru+3
MOLECULAR WEIGHT: 101.07
SMILES: [Ru+3]
Structure:
CAS RN: 22541-20-4
CAS Name: terbium(3+)
OPENEYE Name: terbium(3+)
IUPAC Name: terbium(3+)
SYSTEMATIC NAME: terbium(3+)
MOLECULAR FORMULA: Tb+3
MOLECULAR WEIGHT: 158.92534
SMILES: [Tb+3]
Structure:
CAS RN: 22532-80-5
CAS Name: 1,2-dichloro-4-(4-nitrophenoxy)benzene
OPENEYE Name: 1,2-dichloro-4-(4-nitrophenoxy)benzene
IUPAC Name: 1,2-dichloro-4-(4-nitrophenoxy)benzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-(4-nitrophenoxy)benzene
MOLECULAR FORMULA: C12H7Cl2NO3
MOLECULAR WEIGHT: 284.09488
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 22429-86-3
CAS Name: cadmium(2+) diacetate trihydrate
OPENEYE Name: cadmium(2+) diacetate trihydrate
IUPAC Name: cadmium(2+) diacetate trihydrate
SYSTEMATIC NAME: cadmium(2+) diethanoate trihydrate
MOLECULAR FORMULA: C4H12CdO7
MOLECULAR WEIGHT: 284.54488
SMILES: CC(=O)[O-].CC(=O)[O-].O.O.O.[Cd+2]
Structure:
CAS RN: 22413-78-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H46N2O8
MOLECULAR WEIGHT: 586.71624
SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N
Structure:
CAS RN: 25457-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34O8
MOLECULAR WEIGHT: 462.53266
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)OC)C)O)OC(=O)C)OC(=O)C
Structure:
CAS RN: 25456-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@](C4)(C)O)(C)C(=O)OC
Structure:
CAS RN: 25450-89-9
CAS Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S,2S)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3S)-6-methyl-3-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O
Structure:
CAS RN: 22173-84-8
CAS Name: 5-(2-aminobutyl)-2-methylphenol
OPENEYE Name: 5-(2-aminobutyl)-2-methyl-phenol
IUPAC Name: 5-(2-aminobutyl)-2-methylphenol
SYSTEMATIC NAME: 5-(2-azanylbutyl)-2-methyl-phenol
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CCC(CC1=CC(=C(C=C1)C)O)N
Structure:
CAS RN: 25246-27-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CN(C)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
Structure:
CAS RN: 171674-40-1
CAS Name: ammonia; phosphorous acid
OPENEYE Name: ammonia; phosphorous acid
IUPAC Name: azane; phosphorous acid
SYSTEMATIC NAME: azane; phosphorous acid
MOLECULAR FORMULA: H9N2O3P
MOLECULAR WEIGHT: 116.056821
SMILES: N.N.OP(O)O
Structure:
CAS RN: 22132-71-4
CAS Name: ammonia; phosphorous acid
OPENEYE Name: ammonia; phosphorous acid
IUPAC Name: azane; phosphorous acid
SYSTEMATIC NAME: azane; phosphorous acid
MOLECULAR FORMULA: H9N2O3P
MOLECULAR WEIGHT: 116.056821
SMILES: N.N.OP(O)O
Structure:
CAS RN: 22131-71-1
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-N-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-N-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-N-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-N-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
MOLECULAR FORMULA: C19H25N3O3S
MOLECULAR WEIGHT: 375.4851
SMILES: CCCNC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C
Structure:
CAS RN: 66670-98-2
CAS Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C21H28N6O15P2
MOLECULAR WEIGHT: 666.425742
SMILES: C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC=NC5=O)O)O)O)O
Structure:
CAS RN: 22052-73-9
CAS Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C21H28N6O15P2
MOLECULAR WEIGHT: 666.425742
SMILES: C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC=NC5=O)O)O)O)O
Structure:
CAS RN: 22029-36-3
CAS Name: ethane-1,2-diamine; sulfuric acid
OPENEYE Name: ethane-1,2-diamine; sulfuric acid
IUPAC Name: ethane-1,2-diamine; sulfuric acid
SYSTEMATIC NAME: ethane-1,2-diamine; sulfuric acid
MOLECULAR FORMULA: C2H10N2O4S
MOLECULAR WEIGHT: 158.1768
SMILES: C(CN)N.OS(=O)(=O)O
Structure:
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