CAS RN: 21381-33-9
CAS Name: (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]propanoic acid
MOLECULAR FORMULA: C7H9N3O4
MOLECULAR WEIGHT: 199.16406
SMILES: C1=CNC(=O)N(C1=O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 64887-14-5
CAS Name: 6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-1,3-dimethylpyrimidine-2,4-dione hydrochloride
OPENEYE Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione hydrochloride
IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C20H30ClN5O3
MOLECULAR WEIGHT: 423.9369
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl
Structure:
CAS RN: 21335-43-3
CAS Name: chloromethanesulfonamide
OPENEYE Name: chloromethanesulfonamide
IUPAC Name: chloromethanesulfonamide
SYSTEMATIC NAME: chloranylmethanesulfonamide
MOLECULAR FORMULA: CH4ClNO2S
MOLECULAR WEIGHT: 129.56596
SMILES: C(S(=O)(=O)N)Cl
Structure:
CAS RN: 21238-36-8
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-3,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O15P3
MOLECULAR WEIGHT: 539.179823
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 21202-05-1
CAS Name: N-(1H-benzimidazol-2-yl)acetamide
OPENEYE Name: N-(1H-benzimidazol-2-yl)acetamide
IUPAC Name: N-(1H-benzimidazol-2-yl)acetamide
SYSTEMATIC NAME: N-(1H-benzimidazol-2-yl)ethanamide
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CC(=O)NC1=NC2=CC=CC=C2N1
Structure:
CAS RN: 21104-28-9
CAS Name: 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
OPENEYE Name: 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
IUPAC Name: 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
SYSTEMATIC NAME: 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
MOLECULAR FORMULA: C23H25NO
MOLECULAR WEIGHT: 331.4507
SMILES: CC1=C2C(=C3C(=C1)C4=CC=CC=C4N3)C=CC(O2)(C)CCC=C(C)C
Structure:
CAS RN: 23893-13-2
CAS Name: (2S)-2-amino-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]acetic acid
OPENEYE Name: (2S)-2-amino-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetic acid
IUPAC Name: (2S)-2-amino-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
MOLECULAR FORMULA: C11H15N3O8
MOLECULAR WEIGHT: 317.2521
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)N)O)O)CO
Structure:
CAS RN: 146426-42-8
CAS Name: N1-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]-N4-[3-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzene-1,4-dicarboxamide diiodide
OPENEYE Name: N4-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N1-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide diiodide
IUPAC Name: 4-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide
SYSTEMATIC NAME: N4-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N1-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide
MOLECULAR FORMULA: C33H30I2N6O3
MOLECULAR WEIGHT: 812.43864
SMILES: C[N+]1=CC=C(C=C1)NC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C.[I-].[I-]
Structure:
CAS RN: 20955-11-7
CAS Name: trisodium iron(3+) hexafluoride
OPENEYE Name: ferric trisodium hexafluoride
IUPAC Name: trisodium iron(3+) hexafluoride
SYSTEMATIC NAME: trisodium iron(3+) hexafluoride
MOLECULAR FORMULA: F6FeNa3
MOLECULAR WEIGHT: 238.804729
SMILES: [F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Fe+3]
Structure:
CAS RN: 792949-75-8
CAS Name: trisodium iron(3+) hexafluoride
OPENEYE Name: ferric trisodium hexafluoride
IUPAC Name: trisodium iron(3+) hexafluoride
SYSTEMATIC NAME: trisodium iron(3+) hexafluoride
MOLECULAR FORMULA: F6FeNa3
MOLECULAR WEIGHT: 238.804729
SMILES: [F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Na+].[Fe+3]
Structure:
CAS RN: 23825-26-5
CAS Name: (2S)-2-amino-5-[(ethylhydrazo)methylideneamino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[(2-ethylhydrazino)methyleneamino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[(2-ethylhydrazinyl)methylideneamino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(2-ethylhydrazinyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C8H18N4O2
MOLECULAR WEIGHT: 202.25412
SMILES: CCNNC=NCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 23767-80-8
CAS Name: (2S,5R,6R)-6-[[2-(4-hydroxyphenoxy)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-(4-hydroxyphenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-(4-hydroxyphenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[2-(4-oxidanylphenoxy)ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H18N2O6S
MOLECULAR WEIGHT: 366.38892
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)O)C(=O)O)C
Structure:
CAS RN: 20823-96-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N2O9
MOLECULAR WEIGHT: 726.8544
SMILES: CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Structure:
CAS RN: 2811-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N2O9
MOLECULAR WEIGHT: 726.8544
SMILES: CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Structure:
CAS RN: 23698-21-7
CAS Name: 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone
OPENEYE Name: 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone
IUPAC Name: 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone
MOLECULAR FORMULA: C12H15Cl2NO
MOLECULAR WEIGHT: 260.1596
SMILES: CC(=O)C1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 20736-09-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H68O13
MOLECULAR WEIGHT: 780.98152
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
Structure:
CAS RN: 2363-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H68O13
MOLECULAR WEIGHT: 780.98152
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
Structure:
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