CAS RN: 102583-92-6
CAS Name: N-(1-anthracenyl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(1-anthryl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-anthracen-1-yl-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-anthracen-1-yl-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: C1COC(=N1)NC2=CC=CC3=CC4=CC=CC=C4C=C32
Structure:
CAS RN: 102280-51-3
CAS Name: N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-methyl-N-tetralin-5-yl-4,5-dihydrooxazol-2-amine
IUPAC Name: N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CN(C1=CC=CC2=C1CCCC2)C3=NCCO3
Structure:
CAS RN: 102433-30-7
CAS Name: 1,1-dimethyl-3-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]urea
OPENEYE Name: 1,1-dimethyl-3-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]urea
IUPAC Name: 1,1-dimethyl-3-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]urea
SYSTEMATIC NAME: 1,1-dimethyl-3-[2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethyl]urea
MOLECULAR FORMULA: C16H25N3O
MOLECULAR WEIGHT: 275.3892
SMILES: CN(C)C(=O)NCCN1CCCCCC2=CC=CC=C21
Structure:
CAS RN: 102280-55-7
CAS Name: N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-tetralin-6-yl-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: C1CCC2=C(C1)C=CC(=C2)NC3=NCCO3
Structure:
CAS RN: 14262-60-3
CAS Name: 5-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-hexahydropyrimidin-5-yl)pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[5-fluoranyl-4-oxidanyl-2,6-bis(oxidanylidene)-1,3-diazinan-5-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H6F2N4O5
MOLECULAR WEIGHT: 276.153846
SMILES: C1=C(C(=O)NC(=O)N1C2(C(NC(=O)NC2=O)O)F)F
Structure:
CAS RN: 18796-02-6
CAS Name: 3-hydroxy-2,2,4,4,5-pentamethyl-1-oxidoimidazol-1-ium
OPENEYE Name: 3-hydroxy-2,2,4,4,5-pentamethyl-1-oxido-imidazol-1-ium
IUPAC Name: 3-hydroxy-2,2,4,4,5-pentamethyl-1-oxidoimidazol-1-ium
SYSTEMATIC NAME: 2,2,4,4,5-pentamethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CC1=[N+](C(N(C1(C)C)O)(C)C)[O-]
Structure:
CAS RN: 92965-79-2
CAS Name: N-(diphenylmethyl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-benzhydryl-4,5-dihydrooxazol-2-amine
IUPAC Name: N-benzhydryl-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(diphenylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: C1COC(=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 102570-93-4
CAS Name: amino-(6-amino-3,4,5-tricyano-2-pyridinyl)-dimethylammonium chloride
OPENEYE Name: amino-(6-amino-3,4,5-tricyano-2-pyridyl)-dimethyl-ammonium chloride
IUPAC Name: amino-(6-amino-3,4,5-tricyanopyridin-2-yl)-dimethylazanium chloride
SYSTEMATIC NAME: azanyl-(6-azanyl-3,4,5-tricyano-pyridin-2-yl)-dimethyl-azanium chloride
MOLECULAR FORMULA: C10H10ClN7
MOLECULAR WEIGHT: 263.6863
SMILES: C[N+](C)(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)N.[Cl-]
Structure:
CAS RN: 1005110-08-6
CAS Name: 6-(2-prop-2-enylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylic acid trimethyl ester
OPENEYE Name: trimethyl 6-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylate
IUPAC Name: trimethyl 6-(2-prop-2-enylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylate
SYSTEMATIC NAME: trimethyl 6-(2-prop-2-enylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3,4-tricarboxylate
MOLECULAR FORMULA: C21H22O7
MOLECULAR WEIGHT: 386.39518
SMILES: COC(=O)C1=C(C2(CC(C1O2)C3=CC=CC=C3CC=C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 27656-72-0
CAS Name: 6-amino-2-[[3-amino-2-[[3-[[3-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid
OPENEYE Name: 6-amino-2-[[3-amino-2-[[3-[[3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxy-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-7-hydroxy-9-oxo-nonanoic acid
IUPAC Name: 6-amino-2-[[3-amino-2-[[3-[[3-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-hydroxypropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[[3-azanyl-2-[[3-[[3-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-2-oxidanyl-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-azanylbutylamino)propylamino]-2-oxidanylidene-ethyl]amino]-7-oxidanyl-9-oxidanylidene-nonanoic acid
MOLECULAR FORMULA: C33H58N10O10
MOLECULAR WEIGHT: 754.87462
SMILES: C1=CC(=CC=C1C(CC(=O)NCC(C(=O)NC(CN)C(=O)NC(CCCC(C(CC(=O)NCC(=O)NCCCNCCCCN)O)N)C(=O)O)O)N)O
Structure:
CAS RN: 15674-58-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H62O10
MOLECULAR WEIGHT: 654.87148
SMILES: CC(CC[C@H](C(C)(C)O)O)C1[C@H](CC2([C@@]1(CC[C@]34C2CC(C5[C@]3(C4)CC[C@@H](C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O
Structure:
CAS RN: 84641-75-8
CAS Name: 2-(3-ethoxy-1,3-dioxo-2-triphenylphosphoranylidenepropyl)benzoic acid methyl ester
OPENEYE Name: methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoyl]benzoate
IUPAC Name: methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoyl]benzoate
SYSTEMATIC NAME: methyl 2-[3-ethoxy-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoyl]benzoate
MOLECULAR FORMULA: C31H27O5P
MOLECULAR WEIGHT: 510.516841
SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC
Structure:
CAS RN: 99747-74-7
CAS Name: trifluoromethanesulfonic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl trifluoromethanesulfonate
IUPAC Name: naphthalen-1-yl trifluoromethanesulfonate
SYSTEMATIC NAME: naphthalen-1-yl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C11H7F3O3S
MOLECULAR WEIGHT: 276.23169
SMILES: C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F
Structure:
CAS RN: 499-51-4
CAS Name: 3,5-dihydro-1H-benzimidazolo[5,6-b][1,8]naphthyridine-2,10-dione
OPENEYE Name: 3,5-dihydro-1H-benzimidazolo[5,6-b][1,8]naphthyridine-2,10-dione
IUPAC Name: 3,5-dihydro-1H-benzimidazolo[5,6-b][1,8]naphthyridine-2,10-dione
SYSTEMATIC NAME: 3,5-dihydro-1H-benzimidazolo[5,6-b][1,8]naphthyridine-2,10-dione
MOLECULAR FORMULA: C13H8N4O2
MOLECULAR WEIGHT: 252.22822
SMILES: C1=CC2=C(NC3=CC4=C(C=C3C2=O)NC(=O)N4)N=C1
Structure:
CAS RN: 4870-89-7
CAS Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one
OPENEYE Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
IUPAC Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
SYSTEMATIC NAME: (2R,4S,4aR)-2-(hydroxymethyl)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
MOLECULAR FORMULA: C14H16O9
MOLECULAR WEIGHT: 328.27144
SMILES: COC1=C(C=C2C(=C1O)C3[C@@H]([C@H](C([C@H](O3)CO)O)O)OC2=O)O
Structure:
CAS RN: 477-90-7
CAS Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one
OPENEYE Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
IUPAC Name: (2R,4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
SYSTEMATIC NAME: (2R,4S,4aR)-2-(hydroxymethyl)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
MOLECULAR FORMULA: C14H16O9
MOLECULAR WEIGHT: 328.27144
SMILES: COC1=C(C=C2C(=C1O)C3[C@@H]([C@H](C([C@H](O3)CO)O)O)OC2=O)O
Structure:
CAS RN: 18796-01-5
CAS Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenylimidazol-1-ium
OPENEYE Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenyl-imidazol-1-ium
IUPAC Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenylimidazol-1-ium
SYSTEMATIC NAME: 2,2,4,4-tetramethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-imidazol-1-ium
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CC1(C(=[N+](C(N1O)(C)C)[O-])C2=CC=CC=C2)C
Structure:
CAS RN: 27992-41-2
CAS Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxidoimidazol-1-ium
OPENEYE Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxido-imidazol-1-ium
IUPAC Name: 3-hydroxy-2,2,4,4-tetramethyl-1-oxidoimidazol-1-ium
SYSTEMATIC NAME: 2,2,4,4-tetramethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium
MOLECULAR FORMULA: C7H14N2O2
MOLECULAR WEIGHT: 158.19826
SMILES: CC1(C=[N+](C(N1O)(C)C)[O-])C
Structure:
CAS RN: 1036-72-2
CAS Name: 5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5,7-dimethoxy-2-phenyl-chroman-4-one
IUPAC Name: 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)OC
Structure:
CAS RN: 91807-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@H]([C@H](C(O4)C)C)O
Structure:
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