CAS RN: 86414-28-0
CAS Name: 9,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
OPENEYE Name: 9,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
IUPAC Name: 9,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
SYSTEMATIC NAME: 9,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3-diol
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: COC1=C(C(=C2CN3CCC4=CC(=C(C=C4C3CC2=C1)O)O)OC)OC
Structure:
CAS RN: 86413-76-5
CAS Name: (3R,4aR,12bS)-3,4a,8-trihydroxy-12b-[[(2R,5R,6R)-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3R,4aR,12bS)-3,4a,8-trihydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: (3R,4aR,12bS)-3,4a,8-trihydroxy-12b-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3R,4aR,12bS)-3-methyl-12b-[(2R,5R,6R)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3,4a,8-tris(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C25H26O9
MOLECULAR WEIGHT: 470.46854
SMILES: C[C@@H]1[C@@H](CC[C@H](O1)O[C@]23C(=O)C[C@](C[C@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)O
Structure:
CAS RN: 86413-60-7
CAS Name: 4-[[4-[(2,4-dihydroxy-3,5,6-trimethylphenyl)-oxomethoxy]-2-methoxy-3,5,6-trimethylphenyl]-oxomethoxy]-2-methoxy-3,5,6-trimethylbenzoic acid
OPENEYE Name: 4-[4-(2,4-dihydroxy-3,5,6-trimethyl-benzoyl)oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoic acid
IUPAC Name: 4-[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
SYSTEMATIC NAME: 2-methoxy-4-[2-methoxy-3,5,6-trimethyl-4-[2,3,5-trimethyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-3,5,6-trimethyl-benzoic acid
MOLECULAR FORMULA: C32H36O10
MOLECULAR WEIGHT: 580.62224
SMILES: CC1=C(C(=C(C(=C1C)O)C)O)C(=O)OC2=C(C(=C(C(=C2C)OC)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C)C)C
Structure:
CAS RN: 86408-37-9
CAS Name: 3-(4-methylene-2,5-dioxo-3-pyrrolidinyl)propanoic acid
OPENEYE Name: 3-(4-methylene-2,5-dioxo-pyrrolidin-3-yl)propanoic acid
IUPAC Name: 3-(4-methylidene-2,5-dioxopyrrolidin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-[4-methylidene-2,5-bis(oxidanylidene)pyrrolidin-3-yl]propanoic acid
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: C=C1C(C(=O)NC1=O)CCC(=O)O
Structure:
CAS RN: 86408-33-5
CAS Name: N-[2-(2-iodophenoxy)ethyl]cyclopropanamine hydrochloride
OPENEYE Name: N-[2-(2-iodophenoxy)ethyl]cyclopropanamine hydrochloride
IUPAC Name: N-[2-(2-iodophenoxy)ethyl]cyclopropanamine hydrochloride
SYSTEMATIC NAME: N-[2-(2-iodanylphenoxy)ethyl]cyclopropanamine hydrochloride
MOLECULAR FORMULA: C11H15ClINO
MOLECULAR WEIGHT: 339.60037
SMILES: C1CC1NCCOC2=CC=CC=C2I.Cl
Structure:
CAS RN: 86408-21-1
CAS Name: 3-(2-hydroxypropan-2-yl)-6-methyl-10-spiro[4.5]dec-9-enecarboxaldehyde
OPENEYE Name: 3-(1-hydroxy-1-methyl-ethyl)-6-methyl-spiro[4.5]dec-9-ene-10-carbaldehyde
IUPAC Name: 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde
SYSTEMATIC NAME: 6-methyl-3-(2-oxidanylpropan-2-yl)spiro[4.5]dec-9-ene-10-carbaldehyde
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O
Structure:
CAS RN: 86394-94-7
CAS Name: 2,2-dimethylpropanoic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester
OPENEYE Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate
IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate
SYSTEMATIC NAME: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate
MOLECULAR FORMULA: C12H14N2O4S2
MOLECULAR WEIGHT: 314.38056
SMILES: CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N
Structure:
CAS RN: 86386-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H33N9O18S2
MOLECULAR WEIGHT: 823.71972
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N(CC(=O)O)C(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 86384-98-7
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] ester
OPENEYE Name: O3-methyl O5-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-methyl 5-O-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-[6-[(5-phenyl-1H-pyrazol-3-yl)oxy]hexyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C31H34N4O7
MOLECULAR WEIGHT: 574.62426
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCCCCCOC2=NNC(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 86384-17-0
CAS Name: 2,2,4,4-tetrakis(1-aziridinyl)-6,6-bis(1-pyrrolidinyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,2,4,4-tetrakis(aziridin-1-yl)-6,6-dipyrrolidin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,2,4,4-tetrakis(aziridin-1-yl)-6,6-dipyrrolidin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,2,4,4-tetrakis(aziridin-1-yl)-6,6-dipyrrolidin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C16H32N9P3
MOLECULAR WEIGHT: 443.406863
SMILES: C1CCN(C1)P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CCCC7
Structure:
CAS RN: 86371-40-6
CAS Name: 3-[2-(ethylamino)propyl]-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one
OPENEYE Name: 3-[2-(ethylamino)propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
IUPAC Name: 3-[2-(ethylamino)propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SYSTEMATIC NAME: 3-[2-(ethylamino)propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CCNC(C)CN1CCC2=C(C1)C(=O)OC3=CC=CC=C23
Structure:
CAS RN: 86370-03-8
CAS Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]hexanoic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoate
IUPAC Name: tert-butyl (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoate
SYSTEMATIC NAME: tert-butyl (2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]hexanoate
MOLECULAR FORMULA: C29H47N7O5
MOLECULAR WEIGHT: 573.72738
SMILES: CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCCN)N
Structure:
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