CAS RN: 8067-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H50MgN4O4
MOLECULAR WEIGHT: 735.2079
SMILES: C[C@H]1[C@@H](C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=CC(=N4)C=C5C=C6C(=O)CC2=C6[N-]5)C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C.[Mg+2]
Structure:
CAS RN: 55309-68-7
CAS Name: 10,13-dimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: 17-[(Z)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: 10,13-dimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 10,13-dimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: C/C=C(/CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)\C(C)C
Structure:
CAS RN: 128-33-6
CAS Name: (3S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10S,13R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 606-14-4
CAS Name: 4-(2-amino-3-hydroxyphenyl)-2-ammonio-4-oxobutanoate
OPENEYE Name: 4-(2-amino-3-hydroxy-phenyl)-2-azaniumyl-4-oxo-butanoate
IUPAC Name: 4-(2-amino-3-hydroxyphenyl)-2-azaniumyl-4-oxobutanoate
SYSTEMATIC NAME: 2-azaniumyl-4-(2-azanyl-3-oxidanyl-phenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)[O-])[NH3+]
Structure:
CAS RN: 1492-23-5
CAS Name: 2-ammonio-4-(3-carboxylato-1-oxopropoxy)butanoate
OPENEYE Name: 2-azaniumyl-4-(3-carboxylatopropanoyloxy)butanoate
IUPAC Name: 2-azaniumyl-4-(3-carboxylatopropanoyloxy)butanoate
SYSTEMATIC NAME: 2-azaniumyl-4-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-butanoate
MOLECULAR FORMULA: C8H12NO6-
MOLECULAR WEIGHT: 218.18398
SMILES: C(COC(=O)CCC(=O)[O-])C(C(=O)[O-])[NH3+]
Structure:
CAS RN: 501-28-0
CAS Name: [1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]ammonium
OPENEYE Name: [1-(hydroxymethyl)-2-(1H-imidazol-5-yl)ethyl]ammonium
IUPAC Name: [1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium
SYSTEMATIC NAME: [1-(1H-imidazol-5-yl)-3-oxidanyl-propan-2-yl]azanium
MOLECULAR FORMULA: C6H12N3O+
MOLECULAR WEIGHT: 142.17898
SMILES: C1=C(NC=N1)CC(CO)[NH3+]
Structure:
CAS RN: 6244-91-3
CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[(3-methyl-1-oxobutyl)thio]ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxo-propyl]amino]-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-[[[[2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate
MOLECULAR FORMULA: C26H40N7O17P3S-4
MOLECULAR WEIGHT: 847.618783
SMILES: CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O
Structure:
CAS RN: 56-88-2
CAS Name: (2S)-2-ammonio-4-[[(2R)-2-ammonio-2-carboxylatoethyl]thio]butanoate
OPENEYE Name: (2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-2-carboxylato-ethyl]sulfanyl-butanoate
IUPAC Name: (2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyl-butanoate
MOLECULAR FORMULA: C7H14N2O4S
MOLECULAR WEIGHT: 222.26206
SMILES: C(CSC[C@@H](C(=O)[O-])[NH3+])[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 17046-56-9
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[[(5Z,8Z,11Z,14Z)-1-oxoeicosa-5,8,11,14-tetraenyl]thio]ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phospha
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-y
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethy
MOLECULAR FORMULA: C41H62N7O17P3S-4
MOLECULAR WEIGHT: 1049.953963
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O
Structure:
CAS RN: 67392-79-4
CAS Name: (2S)-2-ammonio-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoate
IUPAC Name: (2S)-2-azaniumyl-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate
MOLECULAR FORMULA: C13H18N6O3
MOLECULAR WEIGHT: 306.32042
SMILES: C/C(=C\CNC1=NC=NC2=C1N=CN2C[C@@H](C(=O)[O-])[NH3+])/CO
Structure:
CAS RN: 1092351-67-1
CAS Name: (2E)-2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-5-indolol
OPENEYE Name: (2E)-2-(4-amino-1-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol
IUPAC Name: (2E)-2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol
SYSTEMATIC NAME: (2E)-2-(4-azanyl-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol
MOLECULAR FORMULA: C16H16N6O
MOLECULAR WEIGHT: 308.33784
SMILES: CC(C)N1C2=C(/C(=C\3/C=C4C=C(C=CC4=N3)O)/N1)C(=NC=N2)N
Structure:
CAS RN: 118724-05-3
CAS Name: 2H-triazol-4-ylmethanamine hydrochloride
OPENEYE Name: 2H-triazol-4-ylmethanamine hydrochloride
IUPAC Name: 2H-triazol-4-ylmethanamine hydrochloride
SYSTEMATIC NAME: 2H-1,2,3-triazol-4-ylmethanamine hydrochloride
MOLECULAR FORMULA: C3H7ClN4
MOLECULAR WEIGHT: 134.56748
SMILES: C1=NNN=C1CN.Cl
Structure:
CAS RN: 1134152-28-5
CAS Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
OPENEYE Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]methyl]-8-methyl-nonanamide
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
SYSTEMATIC NAME: (2S,4S,5S,7S)-5-azanyl-N-(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)-7-[[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]methyl]-8-methyl-4-oxidanyl-2-propan-2-yl-nonanamide
MOLECULAR FORMULA: C30H53N3O6
MOLECULAR WEIGHT: 554.776805
SMILES: [2H]C([2H])([2H])OC1=C(C=C(C=C1)C[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N)C(C)C)OCCCOC
Structure:
CAS RN: 1132747-14-8
CAS Name: N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[(1S)-1-[[[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-[[4-(2-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
IUPAC Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C38H52N6O7
MOLECULAR WEIGHT: 709.886289
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H]([C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)[2H])[2H]
Structure:
CAS RN: 72829-14-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H22N9Na3O13S2
MOLECULAR WEIGHT: 921.71169
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 95926-99-1
CAS Name: 3,3,3-trideuterio-2-methylpropanoic acid
OPENEYE Name: 3,3,3-trideuterio-2-methyl-propanoic acid
IUPAC Name: 3,3,3-trideuterio-2-methylpropanoic acid
SYSTEMATIC NAME: 3,3,3-trideuterio-2-methyl-propanoic acid
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 91.123605
SMILES: [2H]C([2H])([2H])C(C)C(=O)O
Structure:
CAS RN: 27071-84-7
CAS Name: (Z)-9-octadecenoic acid [3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
IUPAC Name: [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C55H102O6
MOLECULAR WEIGHT: 859.39478
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 86860-52-8
CAS Name: (1R,2S)-1,2-dibromo-1,2-dideuterioethane
OPENEYE Name: (1R,2S)-1,2-dibromo-1,2-dideuterio-ethane
IUPAC Name: (1R,2S)-1,2-dibromo-1,2-dideuterioethane
SYSTEMATIC NAME: (1R,2S)-1,2-bis(bromanyl)-1,2-dideuterio-ethane
MOLECULAR FORMULA: C2H4Br2
MOLECULAR WEIGHT: 189.873484
SMILES: [H][C@@]([2H])([C@]([H])([2H])Br)Br
Structure:
CAS RN: 113793-54-7
CAS Name: (1R,2R)-1,2-dibromo-1,2-dideuterioethane
OPENEYE Name: (1R,2R)-1,2-dibromo-1,2-dideuterio-ethane
IUPAC Name: (1R,2R)-1,2-dibromo-1,2-dideuterioethane
SYSTEMATIC NAME: (1R,2R)-1,2-bis(bromanyl)-1,2-dideuterio-ethane
MOLECULAR FORMULA: C2H4Br2
MOLECULAR WEIGHT: 189.873484
SMILES: [H][C@@]([2H])([C@@]([H])([2H])Br)Br
Structure:
CAS RN: 2606-50-0
CAS Name: 10-nonacosanol
OPENEYE Name: nonacosan-10-ol
IUPAC Name: nonacosan-10-ol
SYSTEMATIC NAME: nonacosan-10-ol
MOLECULAR FORMULA: C29H60O
MOLECULAR WEIGHT: 424.7861
SMILES: CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Structure:
CAS RN: 504-55-2
CAS Name: 10-nonacosanol
OPENEYE Name: nonacosan-10-ol
IUPAC Name: nonacosan-10-ol
SYSTEMATIC NAME: nonacosan-10-ol
MOLECULAR FORMULA: C29H60O
MOLECULAR WEIGHT: 424.7861
SMILES: CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Structure:
CAS RN: 98581-86-3
CAS Name: 4-(1,2,4-triazol-4-yl)phenol
OPENEYE Name: 4-(1,2,4-triazol-4-yl)phenol
IUPAC Name: 4-(1,2,4-triazol-4-yl)phenol
SYSTEMATIC NAME: 4-(1,2,4-triazol-4-yl)phenol
MOLECULAR FORMULA: C8H7N3O
MOLECULAR WEIGHT: 161.16068
SMILES: C1=CC(=CC=C1N2C=NN=C2)O
Structure:
CAS RN: 1092942-82-9
CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-piperazinyl)methyl]benzamide
OPENEYE Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-piperazin-1-yl)methyl]benzamide
IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]benzamide
SYSTEMATIC NAME: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methyl-piperazin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C29H31N7O
MOLECULAR WEIGHT: 501.652034
SMILES: [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)([2H])[2H])[2H]
Structure:
CAS RN: 1020719-71-4
CAS Name: 1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
OPENEYE Name: 1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
IUPAC Name: 1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
SYSTEMATIC NAME: 1,2,3,4-tetradeuterio-6-oxidanylidene-5H-benzo[b][1]benzazepine-11-carboxamide
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 256.292627
SMILES: [2H]C1=C(C(=C2C(=C1[2H])CC(=O)C3=CC=CC=C3N2C(=O)N)[2H])[2H]
Structure:
CAS RN: 1134188-71-8
CAS Name: 1,2,3,4-tetradeuterio-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
OPENEYE Name: 1,2,3,4-tetradeuterio-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
IUPAC Name: 1,2,3,4-tetradeuterio-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SYSTEMATIC NAME: 1,2,3,4-tetradeuterio-5-oxidanylidene-6H-benzo[b][1]benzazepine-11-carboxamide
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 256.292627
SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=O)CC3=CC=CC=C3N2C(=O)N)[2H])[2H]
Structure:
CAS RN: 1134163-31-7
CAS Name: 5-[[4-[1,1,2,2-tetradeuterio-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[1,1,2,2-tetradeuterio-2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[1,1,2,2-tetradeuterio-2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[1,1,2,2-tetradeuterio-2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C19H20N2O3S
MOLECULAR WEIGHT: 360.463347
SMILES: [2H]C([2H])(C1=NC=C(C=C1)CC)C([2H])([2H])OC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
Structure:
CAS RN: 1020764-38-8
CAS Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
OPENEYE Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
IUPAC Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SYSTEMATIC NAME: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
MOLECULAR FORMULA: C14H21N3O2S
MOLECULAR WEIGHT: 301.437411
SMILES: [2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC)C([2H])([2H])[2H]
Structure:
CAS RN: 150988-80-0
CAS Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-propanone
OPENEYE Name: 1-(3-chlorophenyl)-2-[[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]amino]propan-1-one
IUPAC Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
SYSTEMATIC NAME: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 248.796576
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 1030937-27-9
CAS Name: [2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]methanol
OPENEYE Name: [2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
IUPAC Name: [2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
SYSTEMATIC NAME: [2-butyl-5-chloranyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
MOLECULAR FORMULA: C22H23ClN6O
MOLECULAR WEIGHT: 426.935267
SMILES: [2H]C1=C(C(=C(C(=C1CN2C(=NC(=C2CO)Cl)CCCC)[2H])[2H])C3=CC=CC=C3C4=NNN=N4)[2H]
Structure:
CAS RN: 1133705-56-2
CAS Name: 1-(9H-carbazol-4-yloxy)-3-[[1,1,2,2-tetradeuterio-2-(2-methoxyphenoxy)ethyl]amino]-2-propanol
OPENEYE Name: 1-(9H-carbazol-4-yloxy)-3-[[1,1,2,2-tetradeuterio-2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[[1,1,2,2-tetradeuterio-2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
SYSTEMATIC NAME: 1-(9H-carbazol-4-yloxy)-3-[[1,1,2,2-tetradeuterio-2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 410.498887
SMILES: [2H]C([2H])(C([2H])([2H])OC1=CC=CC=C1OC)NCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
Structure:
CAS RN: 1132746-04-3
CAS Name: 4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one
OPENEYE Name: 4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]indolin-2-one
IUPAC Name: 4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 267.417692
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)CCC1=C2CC(=O)NC2=CC=C1
Structure:
CAS RN: 1133229-30-7
CAS Name: (2S)-2-(2,2,3,3,4,4-hexadeuterio-5-oxo-1-pyrrolidinyl)butanamide
OPENEYE Name: (2S)-2-(2,2,3,3,4,4-hexadeuterio-5-oxo-pyrrolidin-1-yl)butanamide
IUPAC Name: (2S)-2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide
SYSTEMATIC NAME: (2S)-2-(2,2,3,3,4,4-hexadeuterio-5-oxidanylidene-pyrrolidin-1-yl)butanamide
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 176.245931
SMILES: [2H]C1(C(=O)N(C(C1([2H])[2H])([2H])[2H])[C@@H](CC)C(=O)N)[2H]
Structure:
CAS RN: 1133712-38-5
CAS Name: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetamide
OPENEYE Name: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylacetamide
IUPAC Name: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetamide
SYSTEMATIC NAME: 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenyl-methyl]sulfinylethanamide
MOLECULAR FORMULA: C15H15NO2S
MOLECULAR WEIGHT: 278.380909
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)S(=O)CC(=O)N)[2H])[2H]
Structure:
CAS RN: 1130899-41-0
CAS Name: [1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphonic acid
OPENEYE Name: [1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphono-propyl]phosphonic acid
IUPAC Name: [1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphonic acid
SYSTEMATIC NAME: [1-oxidanyl-3-[pentyl(trideuteriomethyl)amino]-1-phosphono-propyl]phosphonic acid
MOLECULAR FORMULA: C9H23NO7P2
MOLECULAR WEIGHT: 322.247427
SMILES: [2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O
Structure:
CAS RN: 1020719-55-4
CAS Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
OPENEYE Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-methyl-9-oxidanyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C23H27FN4O3
MOLECULAR WEIGHT: 430.50853
SMILES: [2H]C([2H])(C1=C(N=C2C(CCCN2C1=O)O)C)C([2H])([2H])N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
Structure:
CAS RN: 1132093-70-9
CAS Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)-1-piperazinyl]-4-pyrimidinyl]amino]-5-thiazolecarboxamide
OPENEYE Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]thiazole-5-carboxamide
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-(2-chloranyl-6-methyl-phenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C22H26ClN7O2S
MOLECULAR WEIGHT: 496.054834
SMILES: [2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])C2=CC(=NC(=N2)C)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)([2H])[2H])[2H]
Structure:
CAS RN: 1131996-12-7
CAS Name: 7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
OPENEYE Name: 7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
IUPAC Name: 7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
SYSTEMATIC NAME: 7-oxidanylidene-6-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C25H25N5O4
MOLECULAR WEIGHT: 462.515585
SMILES: [2H]C([2H])([2H])OC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
Structure:
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