CAS RN: 135126-59-9
CAS Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phen
OPENEYE Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-
IUPAC Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenan
SYSTEMATIC NAME: (3R,4R,5S,6S)-6-[(9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenant
MOLECULAR FORMULA: C42H72O15
MOLECULAR WEIGHT: 817.01208
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O
Structure:
CAS RN: 135124-72-0
CAS Name: 5-bromo-6-[(5-bromo-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-4-one hydrobromide
OPENEYE Name: 5-bromo-6-[(5-bromo-3-pyridyl)methylamino]-2-methyl-1H-pyrimidin-4-one hydrobromide
IUPAC Name: 5-bromo-6-[(5-bromopyridin-3-yl)methylamino]-2-methyl-1H-pyrimidin-4-one hydrobromide
SYSTEMATIC NAME: 5-bromanyl-6-[(5-bromanylpyridin-3-yl)methylamino]-2-methyl-1H-pyrimidin-4-one hydrobromide
MOLECULAR FORMULA: C11H11Br3N4O
MOLECULAR WEIGHT: 454.94324
SMILES: CC1=NC(=O)C(=C(N1)NCC2=CC(=CN=C2)Br)Br.Br
Structure:
CAS RN: 135070-05-2
CAS Name: 2-[4-[(2-cyclopropyl-7-methyl-3-imidazo[4,5-b]pyridinyl)methyl]phenyl]benzoic acid
OPENEYE Name: 2-[4-[(2-cyclopropyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
IUPAC Name: 2-[4-[(2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[(2-cyclopropyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C24H21N3O2
MOLECULAR WEIGHT: 383.44244
SMILES: CC1=C2C(=NC=C1)N(C(=N2)C3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O
Structure:
CAS RN: 135062-18-9
CAS Name: 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-prop-2-ynyl-1-propanamine
OPENEYE Name: 3-(2-chloro-4-fluoro-phenoxy)-N-methyl-N-prop-2-ynyl-propan-1-amine
IUPAC Name: 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
SYSTEMATIC NAME: 3-(2-chloranyl-4-fluoranyl-phenoxy)-N-methyl-N-prop-2-ynyl-propan-1-amine
MOLECULAR FORMULA: C13H15ClFNO
MOLECULAR WEIGHT: 255.715703
SMILES: CN(CCCOC1=C(C=C(C=C1)F)Cl)CC#C
Structure:
CAS RN: 135052-77-6
CAS Name: benzoic acid [3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] ester
OPENEYE Name: [3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] benzoate
IUPAC Name: [3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] benzoate
SYSTEMATIC NAME: [3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] benzoate
MOLECULAR FORMULA: C30H33NO3
MOLECULAR WEIGHT: 455.58792
SMILES: COC1(C2CCCC1CN(C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 135052-71-0
CAS Name: [(2R,3S,4R,5R)-5-(6-amino-2-oxo-7H-purin-3-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-amino-2-oxo-7H-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-2-oxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-azanyl-2-oxidanylidene-7H-purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O11P2
MOLECULAR WEIGHT: 443.200522
SMILES: C1=NC2=C(N1)C(=NC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Structure:
CAS RN: 135048-70-3
CAS Name: N2,N2,N6,N6-tetrakis(2-chloroethyl)-4,8-bis(1-piperidinyl)pyrimido[5,4-d]pyrimidine-2,6-diamine
OPENEYE Name: N2,N2,N6,N6-tetrakis(2-chloroethyl)-4,8-bis(1-piperidyl)pyrimido[5,4-d]pyrimidine-2,6-diamine
IUPAC Name: 2-N,2-N,6-N,6-N-tetrakis(2-chloroethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
SYSTEMATIC NAME: N2,N2,N6,N6-tetrakis(2-chloroethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
MOLECULAR FORMULA: C24H36Cl4N8
MOLECULAR WEIGHT: 578.40824
SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCCl)CCCl)N(CCCl)CCCl
Structure:
CAS RN: 135048-42-9
CAS Name: 2-(hexan-2-ylamino)acetamide
OPENEYE Name: 2-(1-methylpentylamino)acetamide
IUPAC Name: 2-(hexan-2-ylamino)acetamide
SYSTEMATIC NAME: 2-(hexan-2-ylamino)ethanamide
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CCCCC(C)NCC(=O)N
Structure:
CAS RN: 135048-13-4
CAS Name: 3b-hydroxy-3a,5,5-trimethyl-3-methylene-4H-cyclopenta[a]pentalene-2,6-dione
OPENEYE Name: 3b-hydroxy-3a,5,5-trimethyl-3-methylene-4H-cyclopenta[a]pentalene-2,6-dione
IUPAC Name: 3b-hydroxy-3a,5,5-trimethyl-3-methylidene-4H-cyclopenta[a]pentalene-2,6-dione
SYSTEMATIC NAME: 3a,5,5-trimethyl-3-methylidene-3b-oxidanyl-4H-cyclopenta[a]pentalene-2,6-dione
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1=O)O)C
Structure:
CAS RN: 135038-57-2
CAS Name: (2S)-2-[[(2S)-2-(acetylthio)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoyl]amino]propanoate
IUPAC Name: benzyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]propanoate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[[(2S)-3-(1,3-benzodioxol-5-yl)-2-ethanoylsulfanyl-2-methyl-propanoyl]amino]propanoate
MOLECULAR FORMULA: C23H25NO6S
MOLECULAR WEIGHT: 443.5127
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@](C)(CC2=CC3=C(C=C2)OCO3)SC(=O)C
Structure:
CAS RN: 135038-30-1
CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-ethyl-6-fluoro-7-[4-(4-nitrobenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-7-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C23H21FN4O6
MOLECULAR WEIGHT: 468.434443
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O
Structure:
CAS RN: 135038-56-1
CAS Name: 2-[[(2S)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]acetic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate
IUPAC Name: benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate
SYSTEMATIC NAME: (phenylmethyl) 2-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C22H23NO6S
MOLECULAR WEIGHT: 429.48612
SMILES: CC(=O)SC[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)NCC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 135036-03-2
CAS Name: 4-(methanesulfonamido)-N-[(4-phenyl-2-piperazinyl)methyl]benzamide
OPENEYE Name: 4-(methanesulfonamido)-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
IUPAC Name: 4-(methanesulfonamido)-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
SYSTEMATIC NAME: 4-(methylsulfonylamino)-N-[(4-phenylpiperazin-2-yl)methyl]benzamide
MOLECULAR FORMULA: C19H24N4O3S
MOLECULAR WEIGHT: 388.48386
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2CN(CCN2)C3=CC=CC=C3
Structure:
CAS RN: 135014-49-2
CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-guanidino-pentanamide
IUPAC Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C28H40N8O5
MOLECULAR WEIGHT: 568.6678
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)N)O
Structure:
CAS RN: 135007-72-6
CAS Name: N-[(2-chlorophenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
OPENEYE Name: 2-benzhydryl-N-[(2-chlorophenyl)methyl]quinuclidin-3-amine
IUPAC Name: 2-benzhydryl-N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
MOLECULAR FORMULA: C27H29ClN2
MOLECULAR WEIGHT: 416.98556
SMILES: C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5Cl
Structure:
CAS RN: 129731-11-9
CAS Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid
OPENEYE Name: 5-(4-chlorophenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid
IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid
MOLECULAR FORMULA: C18H15ClO4S
MOLECULAR WEIGHT: 362.8273
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 134993-74-1
CAS Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid
OPENEYE Name: 5-(4-chlorophenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid
IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid
MOLECULAR FORMULA: C18H15ClO4S
MOLECULAR WEIGHT: 362.8273
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 134985-03-8
CAS Name: 3-[1,5-dihydroxy-4-(hydroxymethyl)pent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 3-[1,5-dihydroxy-4-(hydroxymethyl)pent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 3-[1,5-dihydroxy-4-(hydroxymethyl)pent-3-enyl]-4-hydroxy-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 3-[4-(hydroxymethyl)-1,5-bis(oxidanyl)pent-3-enyl]-7-methoxy-2,3,8-trimethyl-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O8
MOLECULAR WEIGHT: 418.43704
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)C(CC=C(CO)CO)O
Structure:
CAS RN: 134985-02-7
CAS Name: 4-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 4-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 4-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-(5-methyl-6-oxidanyl-3,6-dihydro-2H-pyran-2-yl)-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)C4CC=C(C(O4)O)C
Structure:
CAS RN: 134984-99-9
CAS Name: 4-hydroxy-3-(1-hydroxy-4-methylpent-3-enyl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 4-hydroxy-3-(1-hydroxy-4-methyl-pent-3-enyl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 4-hydroxy-3-(1-hydroxy-4-methylpent-3-enyl)-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-(4-methyl-1-oxidanyl-pent-3-enyl)-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)C(CC=C(C)C)O
Structure:
CAS RN: 134984-98-8
CAS Name: 4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)CCC=C(C)C
Structure:
CAS RN: 134931-91-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H28N4O3
MOLECULAR WEIGHT: 480.55762
SMILES: CCCNC[C@]1(C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]1(O2)C)CNC6=O)O
Structure:
CAS RN: 134916-12-4
CAS Name: 1-imidazolecarboxylic acid [(3S,4R)-4-methyl-2-[(4R,5R)-2,2,5-trimethyl-5-[2-[(6S)-5-methyl-2-oxo-6-[3-(phenylmethoxymethoxy)pentan-2-yl]-1,3-dioxan-4-yl]propyl]-1,3-dioxolan-4-yl]hex-5-en-3-yl] ester
OPENEYE Name: [(1S,2R)-1-[1-[(4R,5R)-5-[2-[(6S)-6-[2-(benzyloxymethoxy)-1-methyl-butyl]-5-methyl-2-oxo-1,3-dioxan-4-yl]propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]-2-methyl-but-3-enyl] imidazole-1-carboxylate
IUPAC Name: [(3S,4R)-4-methyl-2-[(4R,5R)-2,2,5-trimethyl-5-[2-[(6S)-5-methyl-2-oxo-6-[3-(phenylmethoxymethoxy)pentan-2-yl]-1,3-dioxan-4-yl]propyl]-1,3-dioxolan-4-yl]hex-5-en-3-yl] imidazole-1-carboxylate
SYSTEMATIC NAME: [(3S,4R)-4-methyl-2-[(4R,5R)-2,2,5-trimethyl-5-[2-[(6S)-5-methyl-2-oxidanylidene-6-[3-(phenylmethoxymethoxy)pentan-2-yl]-1,3-dioxan-4-yl]propyl]-1,3-dioxolan-4-yl]hex-5-en-3-yl] imidazole-1-carboxylate
MOLECULAR FORMULA: C38H56N2O9
MOLECULAR WEIGHT: 684.85924
SMILES: CCC(C(C)[C@H]1C(C(OC(=O)O1)C(C)C[C@@]2([C@H](OC(O2)(C)C)C(C)[C@H]([C@H](C)C=C)OC(=O)N3C=CN=C3)C)C)OCOCC4=CC=CC=C4
Structure:
CAS RN: 134895-33-3
CAS Name: (2S,3R,4S,5R)-2-[6-amino-8-(2-hydroxypropyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4S,5R)-2-[6-amino-8-(2-hydroxypropyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4S,5R)-2-[6-amino-8-(2-hydroxypropyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[6-azanyl-8-(2-oxidanylpropyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H19N5O5
MOLECULAR WEIGHT: 325.32046
SMILES: CC(CC1=NC2=C(N1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2N)O
Structure:
CAS RN: 134892-42-5
CAS Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine
OPENEYE Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine
IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine
SYSTEMATIC NAME: 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine
MOLECULAR FORMULA: C11H14BrN5
MOLECULAR WEIGHT: 296.16636
SMILES: C1CNC2=C(N1)C=CC(=C2Br)NC3=NCCN3
Structure:
CAS RN: 134886-64-9
CAS Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
OPENEYE Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
IUPAC Name: (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4R,5S,6S)-6-[(9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3,4,5-tetrol
MOLECULAR FORMULA: C36H62O10
MOLECULAR WEIGHT: 654.87148
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O
Structure:
CAS RN: 134876-52-1
CAS Name: (2S)-2-[[(2S)-2-amino-3-[3-[2-(2-furanyl)-1-oxoprop-2-enyl]phenyl]-1-oxopropyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-[3-[2-(2-furyl)prop-2-enoyl]phenyl]propanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-[3-[2-(furan-2-yl)prop-2-enoyl]phenyl]propanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-[3-[2-(furan-2-yl)prop-2-enoyl]phenyl]propanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C22H26N2O5
MOLECULAR WEIGHT: 398.45224
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC(=C1)C(=O)C(=C)C2=CC=CO2)N
Structure:
CAS RN: 134869-03-7
CAS Name: (3-oxo-6'-phosphonooxy-3'-spiro[isobenzofuran-1,9'-xanthene]yl) dihydrogen phosphate
OPENEYE Name: (3-oxo-6'-phosphonooxy-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate
IUPAC Name: (3-oxo-6'-phosphonooxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate
SYSTEMATIC NAME: (3-oxidanylidene-6'-phosphonooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate
MOLECULAR FORMULA: C20H14O11P2
MOLECULAR WEIGHT: 492.266082
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OP(=O)(O)O)OC5=C3C=CC(=C5)OP(=O)(O)O
Structure:
CAS RN: 134864-19-0
CAS Name: [2-(hexadecylamino)-2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-3-enyl]methanol
OPENEYE Name: [2-(hexadecylamino)-2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-3-enyl]methanol
IUPAC Name: [2-(hexadecylamino)-2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-3-enyl]methanol
SYSTEMATIC NAME: [2-(hexadecylamino)-2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-3-enyl]methanol
MOLECULAR FORMULA: C25H47NO2
MOLECULAR WEIGHT: 393.64618
SMILES: CCCCCCCCCCCCCCCCNC1(C2CCC(=C1CO)C2)CO
Structure:
CAS RN: 134864-16-7
CAS Name: [5-(hexadecylamino)-5-bicyclo[2.2.1]hept-2-enyl]methanol
OPENEYE Name: [5-(hexadecylamino)-5-bicyclo[2.2.1]hept-2-enyl]methanol
IUPAC Name: [5-(hexadecylamino)-5-bicyclo[2.2.1]hept-2-enyl]methanol
SYSTEMATIC NAME: [5-(hexadecylamino)-5-bicyclo[2.2.1]hept-2-enyl]methanol
MOLECULAR FORMULA: C24H45NO
MOLECULAR WEIGHT: 363.6202
SMILES: CCCCCCCCCCCCCCCCNC1(CC2CC1C=C2)CO
Structure:
CAS RN: 134822-78-9
CAS Name: 1-hydroxy-1-[(6-phenoxy-2H-1-benzopyran-3-yl)methyl]urea
OPENEYE Name: 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
IUPAC Name: 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
SYSTEMATIC NAME: 1-oxidanyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: C1C(=CC2=C(O1)C=CC(=C2)OC3=CC=CC=C3)CN(C(=O)N)O
Structure:
CAS RN: 64039-40-3
CAS Name: 1-arsoroso-4-iodobenzene
OPENEYE Name: 1-arsoroso-4-iodo-benzene
IUPAC Name: 1-arsoroso-4-iodobenzene
SYSTEMATIC NAME: 1-arsoroso-4-iodanyl-benzene
MOLECULAR FORMULA: C6H4AsIO
MOLECULAR WEIGHT: 293.92143
SMILES: C1=CC(=CC=C1[As]=O)I
Structure:
CAS RN: 134767-10-5
CAS Name: 1-arsoroso-4-iodobenzene
OPENEYE Name: 1-arsoroso-4-iodo-benzene
IUPAC Name: 1-arsoroso-4-iodobenzene
SYSTEMATIC NAME: 1-arsoroso-4-iodanyl-benzene
MOLECULAR FORMULA: C6H4AsIO
MOLECULAR WEIGHT: 293.92143
SMILES: C1=CC(=CC=C1[As]=O)I
Structure:
CAS RN: 134762-03-1
CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxaldehyde hydrochloride
OPENEYE Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbaldehyde hydrochloride
IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbaldehyde hydrochloride
SYSTEMATIC NAME: 7-(3-azanylpyrrolidin-1-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carbaldehyde hydrochloride
MOLECULAR FORMULA: C19H16ClF3N4O2
MOLECULAR WEIGHT: 424.80415
SMILES: C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C=O)F.Cl
Structure:
CAS RN: 134761-89-0
CAS Name: acetic acid [(11aS)-7-hydroxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e]benzofuran-10-yl] ester
OPENEYE Name: [(11aS)-7-hydroxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e]benzofuran-10-yl] acetate
IUPAC Name: [(11aS)-7-hydroxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-10-yl] acetate
SYSTEMATIC NAME: [(11aS)-11a-methyl-7-oxidanyl-3,3a,3b,4,5,9b,10,11-octahydro-2H-naphtho[2,1-e][1]benzofuran-10-yl] ethanoate
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC(=O)OC1C[C@]2(C(CCO2)C3C1C4=C(CC3)C=C(C=C4)O)C
Structure:
CAS RN: 134732-59-5
CAS Name: (3S)-3-amino-4-oxo-4-[(5S)-5-[oxo(propoxy)methyl]-4-azabicyclo[3.1.0]hexan-4-yl]butanoic acid
OPENEYE Name: (3S)-3-amino-4-oxo-4-[(5S)-5-propoxycarbonyl-4-azabicyclo[3.1.0]hexan-4-yl]butanoic acid
IUPAC Name: (3S)-3-amino-4-oxo-4-[(5S)-5-propoxycarbonyl-4-azabicyclo[3.1.0]hexan-4-yl]butanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-4-oxidanylidene-4-[(5S)-5-propoxycarbonyl-4-azabicyclo[3.1.0]hexan-4-yl]butanoic acid
MOLECULAR FORMULA: C13H20N2O5
MOLECULAR WEIGHT: 284.3083
SMILES: CCCOC(=O)[C@]12CC1CCN2C(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 134701-70-5
CAS Name: 9-(3,4,5-triphenyl-1-pyrazolyl)nonanoic acid
OPENEYE Name: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoic acid
IUPAC Name: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoic acid
SYSTEMATIC NAME: 9-(3,4,5-triphenylpyrazol-1-yl)nonanoic acid
MOLECULAR FORMULA: C30H32N2O2
MOLECULAR WEIGHT: 452.58728
SMILES: C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)O)C4=CC=CC=C4
Structure:
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