CAS RN: 127231-51-0
CAS Name: (2S,3S)-2-[[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-2-hydroxy-5-methylhexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester
OPENEYE Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-5-methyl-hexyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
IUPAC Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
SYSTEMATIC NAME: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-5-methyl-2-oxidanyl-hexyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoate
MOLECULAR FORMULA: C31H56N6O8
MOLECULAR WEIGHT: 640.81174
SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1CC([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C)O
Structure:
CAS RN: 127231-50-9
CAS Name: (2S,3S)-2-[[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-2-hydroxy-5-methylhexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester
OPENEYE Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-5-methyl-hexyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
IUPAC Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
SYSTEMATIC NAME: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-5-methyl-2-oxidanyl-hexyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoate
MOLECULAR FORMULA: C34H61N7O10
MOLECULAR WEIGHT: 727.88904
SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1CC([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O
Structure:
CAS RN: 127231-47-4
CAS Name: (2S,3S)-2-[[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester
OPENEYE Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
IUPAC Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
SYSTEMATIC NAME: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoate
MOLECULAR FORMULA: C34H54N6O8
MOLECULAR WEIGHT: 674.82796
SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1CC([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C)O
Structure:
CAS RN: 6941-45-3
CAS Name: cyclohexanamine; nitric acid
OPENEYE Name: cyclohexanamine; nitric acid
IUPAC Name: cyclohexanamine; nitric acid
SYSTEMATIC NAME: cyclohexanamine; nitric acid
MOLECULAR FORMULA: C6H14N2O3
MOLECULAR WEIGHT: 162.18696
SMILES: C1CCC(CC1)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 918538-05-3
CAS Name: 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
OPENEYE Name: 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
IUPAC Name: 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
SYSTEMATIC NAME: 2,4-bis(chloranyl)pyrrolo[2,1-f][1,2,4]triazine
MOLECULAR FORMULA: C6H3Cl2N3
MOLECULAR WEIGHT: 188.01412
SMILES: C1=CN2C(=C1)C(=NC(=N2)Cl)Cl
Structure:
CAS RN: 890402-81-0
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; [(2R)-1-[1-oxo-2-[[(3R)-3-pyrrolidinyl]amino]ethyl]-2-pyrrolidinyl]boronic acid
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]ethanoyl]pyrrolidin-2-yl]boronic acid
MOLECULAR FORMULA: C14H26BN3O9
MOLECULAR WEIGHT: 391.18194
SMILES: B([C@@H]1CCCN1C(=O)CN[C@@H]2CCNC2)(O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 121028-75-9
CAS Name: 3-ethyl-4,5-dimethylthiazol-3-ium bromide
OPENEYE Name: 3-ethyl-4,5-dimethyl-thiazol-3-ium bromide
IUPAC Name: 3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium bromide
SYSTEMATIC NAME: 3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium bromide
MOLECULAR FORMULA: C7H12BrNS
MOLECULAR WEIGHT: 222.14588
SMILES: CC[N+]1=CSC(=C1C)C.[Br-]
Structure:
CAS RN: 841297-69-6
CAS Name: 2-phenyl-7-quinolinecarboxylic acid
OPENEYE Name: 2-phenylquinoline-7-carboxylic acid
IUPAC Name: 2-phenylquinoline-7-carboxylic acid
SYSTEMATIC NAME: 2-phenylquinoline-7-carboxylic acid
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(=O)O)C=C2
Structure:
CAS RN: 859784-19-3
CAS Name: 4-tert-butyl-2,6-dimethylaniline hydrochloride
OPENEYE Name: 4-tert-butyl-2,6-dimethyl-aniline hydrochloride
IUPAC Name: 4-tert-butyl-2,6-dimethylaniline hydrochloride
SYSTEMATIC NAME: 4-tert-butyl-2,6-dimethyl-aniline hydrochloride
MOLECULAR FORMULA: C12H20ClN
MOLECULAR WEIGHT: 213.7469
SMILES: CC1=CC(=CC(=C1N)C)C(C)(C)C.Cl
Structure:
CAS RN: 532-40-1
CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphate
OPENEYE Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphate
IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphate
SYSTEMATIC NAME: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphate
MOLECULAR FORMULA: C12H16N4O4PS-
MOLECULAR WEIGHT: 343.318601
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])[O-]
Structure:
CAS RN: 39219-57-3
CAS Name: (3S,5R,9R,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (3S,5R,9R,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (3S,5R,9R,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (3S,5R,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,14-bis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
Structure:
CAS RN: 63534-64-5
CAS Name: 3-[acetyl(ethyl)amino]-5-[[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonyl-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-anilino]-3-oxo-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3-[3-[3-[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propyl]sulfonylpropanoylamino]-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C35H45I6N5O15S
MOLECULAR WEIGHT: 1569.24812
SMILES: CCN(C1=C(C(=C(C(=C1I)NC(=O)CCS(=O)(=O)CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)N(CC)C(=O)C)I)I)C(=O)O)I)C(=O)C.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 33813-84-2
CAS Name: 7-[(1R,2S)-2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2S)-2-(3-hydroxy-3-methyl-octyl)-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2S)-2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2S)-2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCC(C)(CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O
Structure:
CAS RN: 41767-29-7
CAS Name: 2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid butyl ester
OPENEYE Name: butyl 2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetate
IUPAC Name: butyl 2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
SYSTEMATIC NAME: butyl 2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C26H35FO5
MOLECULAR WEIGHT: 446.551503
SMILES: CCCCOC(=O)C(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C
Structure:
CAS RN: 192642-77-6
CAS Name: 5-bromotriazolo[1,5-a]pyridine
OPENEYE Name: 5-bromotriazolo[1,5-a]pyridine
IUPAC Name: 5-bromotriazolo[1,5-a]pyridine
SYSTEMATIC NAME: 5-bromanyl-[1,2,3]triazolo[1,5-a]pyridine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CN2C(=CN=N2)C=C1Br
Structure:
CAS RN: 39130-80-8
CAS Name: dichloroborinothioic acid
OPENEYE Name: dichloroborinothioic acid
IUPAC Name: dichloroborinothioic acid
SYSTEMATIC NAME: bis(chloranyl)borinothioic acid
MOLECULAR FORMULA: BCl2HS
MOLECULAR WEIGHT: 114.78994
SMILES: B(S)(Cl)Cl
Structure:
CAS RN: 20410-30-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: BCl13N2Si4
MOLECULAR WEIGHT: 612.0554
SMILES: B(N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)(N([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl)Cl
Structure:
CAS RN: 87115-49-9
CAS Name: chloro(ethyl)borane
OPENEYE Name: chloro(ethyl)borane
IUPAC Name: chloro(ethyl)borane
SYSTEMATIC NAME: chloranyl(ethyl)borane
MOLECULAR FORMULA: C2H6BCl
MOLECULAR WEIGHT: 76.33304
SMILES: B(CC)Cl
Structure:
CAS RN: 19446-68-5
CAS Name: (1S,4R)-spiro[bicyclo[2.1.0]pentane-5,1'-cyclopropane]
OPENEYE Name: (1S,4R)-spiro[bicyclo[2.1.0]pentane-5,1'-cyclopropane]
IUPAC Name: (1S,4R)-spiro[bicyclo[2.1.0]pentane-5,1'-cyclopropane]
SYSTEMATIC NAME: (1S,4R)-spiro[bicyclo[2.1.0]pentane-5,1'-cyclopropane]
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1C[C@H]2[C@@H]1C23CC3
Structure:
CAS RN: 930-99-4
CAS Name: (3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene
OPENEYE Name: (3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene
IUPAC Name: (3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene
SYSTEMATIC NAME: (3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1C[C@@H]2CC=C[C@@H]2C1
Structure:
CAS RN: 22630-75-7
CAS Name: (1R)-bicyclo[3.2.0]hept-4-ene
OPENEYE Name: (1R)-bicyclo[3.2.0]hept-4-ene
IUPAC Name: (1R)-bicyclo[3.2.0]hept-4-ene
SYSTEMATIC NAME: (1R)-bicyclo[3.2.0]hept-4-ene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1C[C@@H]2CCC2=C1
Structure:
CAS RN: 50861-26-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C1[C@@H]2[C@H]1C3C4C2C34
Structure:
CAS RN: 28056-54-4
CAS Name: (4S)-2,2,4-trimethyl-1-cyclopentanone
OPENEYE Name: (4S)-2,2,4-trimethylcyclopentanone
IUPAC Name: (4S)-2,2,4-trimethylcyclopentan-1-one
SYSTEMATIC NAME: (4S)-2,2,4-trimethylcyclopentan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C[C@@H]1CC(=O)C(C1)(C)C
Structure:
CAS RN: 1165-39-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O7
MOLECULAR WEIGHT: 328.27298
SMILES: COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@H]5C=CO[C@H]5OC4=C1
Structure:
CAS RN: 2158-55-6
CAS Name: (4S)-1,1,4-trimethylcycloheptane
OPENEYE Name: (4S)-1,1,4-trimethylcycloheptane
IUPAC Name: (4S)-1,1,4-trimethylcycloheptane
SYSTEMATIC NAME: (4S)-1,1,4-trimethylcycloheptane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: C[C@H]1CCCC(CC1)(C)C
Structure:
CAS RN: 53-59-8
CAS Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] phosphate
OPENEYE Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] phosphate
MOLECULAR FORMULA: C21H25N7O17P3-3
MOLECULAR WEIGHT: 740.381183
SMILES: C1=CC(=C[N+](=C1)[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=C4N=CN=C5N)OP(=O)([O-])[O-])O)O)O)C(=O)N
Structure:
CAS RN: 53-84-9
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C21H26N7O14P2-
MOLECULAR WEIGHT: 662.417162
SMILES: C1=CC(=C[N+](=C1)[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=C4N=CN=C5N)O)O)O)O)C(=O)N
Structure:
CAS RN: 61-19-8
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C10H12N5O7P-2
MOLECULAR WEIGHT: 345.205341
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O
Structure:
CAS RN: 15666-52-1
CAS Name: [[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
OPENEYE Name: [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
IUPAC Name: [[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C12H16N4O10P3S-3
MOLECULAR WEIGHT: 501.262523
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]
Structure:
CAS RN: 154-87-0
CAS Name: [2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-oxidophosphoryl] phosphate
OPENEYE Name: [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-oxido-phosphoryl] phosphate
IUPAC Name: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C12H16N4O7P2S-2
MOLECULAR WEIGHT: 422.290562
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)([O-])[O-]
Structure:
No comments:
Post a Comment