CAS RN: 5956-92-3
CAS Name: 2-(diethylamino)-N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]acetamide
OPENEYE Name: 2-(diethylamino)-N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]acetamide
IUPAC Name: 2-(diethylamino)-N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-[(E)-[2-oxidanylidene-2-(4-phenylphenyl)ethylidene]amino]ethanamide
MOLECULAR FORMULA: C20H23N3O2
MOLECULAR WEIGHT: 337.41552
SMILES: CCN(CC)CC(=O)N/N=C/C(=O)C1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 5956-95-6
CAS Name: 2-(4-morpholinyl)-N-[(E)-phenacylideneamino]acetamide
OPENEYE Name: 2-morpholino-N-[(E)-phenacylideneamino]acetamide
IUPAC Name: 2-morpholin-4-yl-N-[(E)-phenacylideneamino]acetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[(E)-phenacylideneamino]ethanamide
MOLECULAR FORMULA: C14H17N3O3
MOLECULAR WEIGHT: 275.30308
SMILES: C1COCCN1CC(=O)N/N=C/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 117707-11-6
CAS Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H16BrN2O9P
MOLECULAR WEIGHT: 455.151901
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 117707-12-7
CAS Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid
OPENEYE Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
IUPAC Name: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
SYSTEMATIC NAME: 2-[[(2R,3S,5R)-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid
MOLECULAR FORMULA: C13H16BrN2O9P
MOLECULAR WEIGHT: 455.151901
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)COP(=O)(CC(=O)O)O)O
Structure:
CAS RN: 171176-43-5
CAS Name: 4-amino-1-[(2R,3Z,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2R,3Z,4S,5R)-3-(fluoromethylene)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2R,3Z,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R,3Z,4S,5R)-3-(fluoranylmethylidene)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H12FN3O4
MOLECULAR WEIGHT: 257.218383
SMILES: C1=CN(C(=O)N=C1N)[C@H]2/C(=C\F)/[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 74131-09-2
CAS Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-[(E)-2-bromovinyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-[(E)-2-bromanylethenyl]-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C11H14BrN3O4
MOLECULAR WEIGHT: 332.15056
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)/C=C/Br)CO)O
Structure:
CAS RN: 95313-04-5
CAS Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-[(E)-2-bromovinyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
IUPAC Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-[(E)-2-bromanylethenyl]-1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidin-2-one
MOLECULAR FORMULA: C12H16BrN3O3
MOLECULAR WEIGHT: 330.17774
SMILES: C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=NC2=O)N)/C=C/Br
Structure:
CAS RN: 91661-25-5
CAS Name: 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-[(E)-2-iodanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15IN2O4
MOLECULAR WEIGHT: 378.16297
SMILES: C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/I
Structure:
CAS RN: 91661-22-2
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O4
MOLECULAR WEIGHT: 331.1625
SMILES: C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 95463-56-2
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O4
MOLECULAR WEIGHT: 331.1625
SMILES: C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 60-57-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Cl6O
MOLECULAR WEIGHT: 380.90932
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 86391-68-6
CAS Name: 5-[(E)-2-bromoethenyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-bromovinyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-bromoethenyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-bromanylethenyl]-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13BrN2O6
MOLECULAR WEIGHT: 349.13472
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Br
Structure:
CAS RN: 160219-89-6
CAS Name: (4Z,17Z,27E,29R)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
OPENEYE Name: (4Z,17Z,27E,29R)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
IUPAC Name: (4Z,17Z,27E,29R)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
SYSTEMATIC NAME: (4Z,17Z,27E,29R)-29-oxidanylhentriaconta-4,17,27-trien-2,20,30-triynoic acid
MOLECULAR FORMULA: C31H44O3
MOLECULAR WEIGHT: 464.67926
SMILES: C#C[C@@H](/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O)O
Structure:
CAS RN: 6236-05-1
CAS Name: (2E)-5-nitro-2-furancarboxaldehyde oxime
OPENEYE Name: (2E)-5-nitrofuran-2-carbaldehyde oxime
IUPAC Name: (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C5H4N2O4
MOLECULAR WEIGHT: 156.09626
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/O
Structure:
CAS RN: 555-15-7
CAS Name: (2E)-5-nitro-2-furancarboxaldehyde oxime
OPENEYE Name: (2E)-5-nitrofuran-2-carbaldehyde oxime
IUPAC Name: (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C5H4N2O4
MOLECULAR WEIGHT: 156.09626
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/O
Structure:
CAS RN: 465-16-7
CAS Name: acetic acid [(3S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [(3S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [(3S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H]([C@H](C[C@@]5([C@@H]4CCC3C2)O)OC(=O)C)C6=CC(=O)OC6)C)C)OC)O
Structure:
CAS RN: 22912-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H61N3O13
MOLECULAR WEIGHT: 851.97814
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCN5CCCCC5)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38128-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H52N2O13
MOLECULAR WEIGHT: 768.84648
SMILES: CCON/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C(C(/C=C\C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 13292-54-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H50N2O13
MOLECULAR WEIGHT: 754.8199
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOC)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 13292-43-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H55N3O13
MOLECULAR WEIGHT: 809.8984
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCOCC5)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 14840-02-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H48N2O13
MOLECULAR WEIGHT: 740.79332
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NO)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 13929-37-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H60N2O13
MOLECULAR WEIGHT: 836.9635
SMILES: CC1/C=C\C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N5CCCCCC5)\C
Structure:
CAS RN: 17607-45-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H58N2O13
MOLECULAR WEIGHT: 834.94762
SMILES: CC1/C=C\C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(CC=C)CC=C)\C
Structure:
CAS RN: 32914-67-3
CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienylmethyl(triphenyl)phosphonium; iron(2+)
OPENEYE Name: ferrous; cyclopenta-1,3-diene; cyclopenta-2,4-dien-1-ylmethyl(triphenyl)phosphonium
IUPAC Name: cyclopenta-1,3-diene; cyclopenta-2,4-dien-1-ylmethyl(triphenyl)phosphanium; iron(2+)
SYSTEMATIC NAME: cyclopenta-1,3-diene; cyclopenta-2,4-dien-1-ylmethyl(triphenyl)phosphanium; iron(2+)
MOLECULAR FORMULA: C29H26FeP+
MOLECULAR WEIGHT: 461.335501
SMILES: [CH-]1C=CC=C1.C1=CC=C(C=C1)[P+](C[C-]2C=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Fe+2]
Structure:
CAS RN: 14284-89-0
CAS Name: (Z)-4-hydroxy-3-penten-2-one; manganese(3+)
OPENEYE Name: manganic (Z)-4-hydroxypent-3-en-2-one
IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; manganese(3+)
SYSTEMATIC NAME: manganese(3+); (Z)-4-oxidanylpent-3-en-2-one
MOLECULAR FORMULA: C15H24MnO6+3
MOLECULAR WEIGHT: 355.285509
SMILES: C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Mn+3]
Structure:
CAS RN: 111072-31-2
CAS Name: 5-[(2Z)-2-[2-anilino-1-(2-methoxy-4-nitro-5-sulfonatophenyl)azo-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate
OPENEYE Name: 5-[(2Z)-2-[2-anilino-1-(2-methoxy-4-nitro-5-sulfonato-phenyl)azo-2-oxo-ethylidene]hydrazino]-4-methoxy-2-nitro-benzenesulfonate
IUPAC Name: 5-[(2Z)-2-[2-anilino-1-[(2-methoxy-4-nitro-5-sulfonatophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]-4-methoxy-2-nitrobenzenesulfonate
SYSTEMATIC NAME: 4-methoxy-5-[(2Z)-2-[1-[(2-methoxy-4-nitro-5-sulfonato-phenyl)diazenyl]-2-oxidanylidene-2-phenylazanyl-ethylidene]hydrazinyl]-2-nitro-benzenesulfonate
MOLECULAR FORMULA: C22H17N7O13S2-2
MOLECULAR WEIGHT: 651.53948
SMILES: COC1=CC(=C(C=C1N/N=C(/C(=O)NC2=CC=CC=C2)\N=NC3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 519-62-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70MgN4O6
MOLECULAR WEIGHT: 907.4725
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Mg+2]
Structure:
CAS RN: 479-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H72MgN4O5
MOLECULAR WEIGHT: 893.48898
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Structure:
CAS RN: 6165-03-3
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(phenylmethylthio)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H18N4O4S
MOLECULAR WEIGHT: 374.41422
SMILES: C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 7184-60-3
CAS Name: 2-[(4Z,6Z)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]-1-cyclopentanecarboxylic acid
OPENEYE Name: 2-[(4Z,6Z)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
IUPAC Name: 2-[(4Z,6Z)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 2-[(4Z,6Z)-7-cyano-9,11,13,15-tetramethyl-8,16-bis(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C28H43NO6
MOLECULAR WEIGHT: 489.64412
SMILES: CC1CC(CC(C(/C(=C\C=C/CC(OC(=O)CC(C(C1)C)O)C2CCCC2C(=O)O)/C#N)O)C)C
Structure:
CAS RN: 24185-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N3O4
MOLECULAR WEIGHT: 437.53134
SMILES: C1CCNC(=O)/C=C/[C@]23CCC(=O)C[C@H]2OC4=C3C=C(C=C4)/C=C/C(=O)NCCCNC1
Structure:
CAS RN: 466-07-9
CAS Name: 3-[(3S,5R,10S,13R,14S,17R)-3-[[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
Structure:
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