CAS RN: 93415-41-9
CAS Name: 1-[3-(2-fluorophenyl)-5-[2-[[(E)-3-indolylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
OPENEYE Name: 1-[3-(2-fluorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
IUPAC Name: 1-[3-(2-fluorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
SYSTEMATIC NAME: 1-[3-(2-fluorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
MOLECULAR FORMULA: C26H21FN4O
MOLECULAR WEIGHT: 424.469543
SMILES: CC(=O)N1C(CC(=N1)C2=CC=CC=C2N/C=C\3/C=NC4=CC=CC=C43)C5=CC=CC=C5F
Structure:
CAS RN: 93415-42-0
CAS Name: 1-[3-(3-chlorophenyl)-5-[2-[[(E)-3-indolylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
OPENEYE Name: 1-[3-(3-chlorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
IUPAC Name: 1-[3-(3-chlorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
SYSTEMATIC NAME: 1-[3-(3-chlorophenyl)-5-[2-[[(E)-indol-3-ylidenemethyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
MOLECULAR FORMULA: C26H21ClN4O
MOLECULAR WEIGHT: 440.92414
SMILES: CC(=O)N1C(CC(=N1)C2=CC=CC=C2N/C=C\3/C=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl
Structure:
CAS RN: 102129-13-5
CAS Name: 5-[(dimethylamino)methyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 5-[(dimethylamino)methyl]-1-phenyl-pyrazole-4-carboxylate hydrochloride
IUPAC Name: ethyl 5-[(dimethylamino)methyl]-1-phenylpyrazole-4-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 5-[(dimethylamino)methyl]-1-phenyl-pyrazole-4-carboxylate hydrochloride
MOLECULAR FORMULA: C15H20ClN3O2
MOLECULAR WEIGHT: 309.7912
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)CN(C)C.Cl
Structure:
CAS RN: 96911-59-0
CAS Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxo-1-cyclohexa-1,5-dienyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-N-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxocyclohexa-1,5-dien-1-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]-N-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 5-methyl-3-oxo-2-[(Z)-[3-(4-oxocyclohexa-1,5-dien-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 5-methyl-3-oxidanylidene-2-[(Z)-[3-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C21H18N4O2S3
MOLECULAR WEIGHT: 454.58822
SMILES: CC1=CC(=O)N(N1C(=S)NC2=CC=CC=C2)/C=C\3/CN(C(=S)S3)C4=CCC(=O)C=C4
Structure:
CAS RN: 93506-00-4
CAS Name: 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine hydrochloride
OPENEYE Name: 4-(3-chloro-2-methyl-phenyl)-1H-pyrazol-5-amine hydrochloride
IUPAC Name: 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine hydrochloride
SYSTEMATIC NAME: 4-(3-chloranyl-2-methyl-phenyl)-1H-pyrazol-5-amine hydrochloride
MOLECULAR FORMULA: C10H11Cl2N3
MOLECULAR WEIGHT: 244.12044
SMILES: CC1=C(C=CC=C1Cl)C2=C(NN=C2)N.Cl
Structure:
CAS RN: 91119-34-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H29ClFN3O
MOLECULAR WEIGHT: 490.011463
SMILES: C1CN2CC3=C(CC2CN1CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl)C6=CC=CC=C6N3
Structure:
CAS RN: 91119-35-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25N5O2
MOLECULAR WEIGHT: 403.4769
SMILES: C1CN2CC3=C(CC2CN1CCN=CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5N3
Structure:
CAS RN: 91119-36-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H27N5O2
MOLECULAR WEIGHT: 405.49278
SMILES: C1CN2CC3=C(CC2CN1CCNCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5N3
Structure:
CAS RN: 91119-31-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22N4
MOLECULAR WEIGHT: 270.37268
SMILES: C1CN2CC3=C(CC2CN1CCN)C4=CC=CC=C4N3
Structure:
CAS RN: 91119-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N4
MOLECULAR WEIGHT: 266.34092
SMILES: C1CN2CC3=C(CC2CN1CC#N)C4=CC=CC=C4N3
Structure:
CAS RN: 102129-11-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23IN2
MOLECULAR WEIGHT: 382.28239
SMILES: CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C.CI
Structure:
CAS RN: 95857-70-8
CAS Name: (E)-2-butenedioic acid; 2-methyl-N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)-1-pentanamine
OPENEYE Name: fumaric acid; 2-methyl-N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)pentan-1-amine
IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)pentan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methyl-N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)pentan-1-amine
MOLECULAR FORMULA: C21H31N3O9
MOLECULAR WEIGHT: 469.48554
SMILES: CCCC(CNCC1OCCC2=C1N=CN2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95857-72-0
CAS Name: (E)-2-butenedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclopentanamine
OPENEYE Name: fumaric acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclopentanamine
IUPAC Name: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclopentanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclopentanamine
MOLECULAR FORMULA: C20H27N3O9
MOLECULAR WEIGHT: 453.44308
SMILES: C1CC(CC1)NCC2OCCC3=C2N=CN3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95858-97-2
CAS Name: N-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]cyclopentanamine dihydrochloride
OPENEYE Name: N-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]cyclopentanamine dihydrochloride
IUPAC Name: N-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]cyclopentanamine dihydrochloride
SYSTEMATIC NAME: N-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]cyclopentanamine dihydrochloride
MOLECULAR FORMULA: C14H25Cl2N3O
MOLECULAR WEIGHT: 322.2738
SMILES: CCN1C=NC2=C1CCOC2CNC3CCCC3.Cl.Cl
Structure:
CAS RN: 95857-74-2
CAS Name: (E)-2-butenedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclohexanamine
OPENEYE Name: fumaric acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclohexanamine
IUPAC Name: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclohexanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)cyclohexanamine
MOLECULAR FORMULA: C21H29N3O9
MOLECULAR WEIGHT: 467.46966
SMILES: C1CCC(CC1)NCC2OCCC3=C2N=CN3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95878-54-9
CAS Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-2-butenedioic acid
OPENEYE Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; fumaric acid
IUPAC Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C35H35N3O17
MOLECULAR WEIGHT: 769.6623
SMILES: C1C2=C(N=CN2)C(OC1)CN(CC3=CC4=C(OCO4)C=C3)CC5=CC6=C(OCO6)C=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95857-68-4
CAS Name: (E)-2-butenedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)-2-propanamine
OPENEYE Name: fumaric acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)propan-2-amine
IUPAC Name: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)propan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)propan-2-amine
MOLECULAR FORMULA: C18H25N3O9
MOLECULAR WEIGHT: 427.4058
SMILES: CC(NCC1OCCC2=C1N=CN2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95857-79-7
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine
OPENEYE Name: N,N-dimethyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine
MOLECULAR FORMULA: C17H23N3O9
MOLECULAR WEIGHT: 413.37922
SMILES: CN(CC1OCCC2=C1N=CN2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95857-65-1
CAS Name: 1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethanamine dihydrochloride
OPENEYE Name: 1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethanamine dihydrochloride
IUPAC Name: 1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethanamine dihydrochloride
SYSTEMATIC NAME: 1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethanamine dihydrochloride
MOLECULAR FORMULA: C7H13Cl2N3O
MOLECULAR WEIGHT: 226.10362
SMILES: C1COC(C2=C1NC=N2)CN.Cl.Cl
Structure:
CAS RN: 95857-77-5
CAS Name: N,N-bis[(4-chlorophenyl)methyl]-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-2-butenedioic acid
OPENEYE Name: N,N-bis[(4-chlorophenyl)methyl]-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; fumaric acid
IUPAC Name: N,N-bis[(4-chlorophenyl)methyl]-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: N,N-bis[(4-chlorophenyl)methyl]-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C29H29Cl2N3O9
MOLECULAR WEIGHT: 634.46126
SMILES: C1C2=C(N=CN2)C(OC1)CN(CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 91009-64-2
CAS Name: [6-(hydroxymethyl)-2,2,6-trimethyl-3-oxanyl]methanol
OPENEYE Name: [6-(hydroxymethyl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol
IUPAC Name: [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol
SYSTEMATIC NAME: [6-(hydroxymethyl)-2,2,6-trimethyl-oxan-3-yl]methanol
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CC1(C(CCC(O1)(C)CO)CO)C
Structure:
CAS RN: 104715-75-5
CAS Name: 2-(4-butylanilino)-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione hydrate
OPENEYE Name: 2-(4-butylanilino)-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione hydrate
IUPAC Name: 2-(4-butylanilino)-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione hydrate
SYSTEMATIC NAME: 2-[(4-butylphenyl)amino]-9-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione hydrate
MOLECULAR FORMULA: C20H27N5O4S
MOLECULAR WEIGHT: 433.52448
SMILES: CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)[C@@H]4C[C@@H]([C@H](O4)CO)O.O
Structure:
CAS RN: 90749-37-4
CAS Name: (E)-2-butenedioic acid; 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3,7-trimethylpurine-2,6-dione
OPENEYE Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3,7-trimethyl-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3,7-trimethylpurine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,3,7-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C32H38N6O6
MOLECULAR WEIGHT: 602.68072
SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90749-60-3
CAS Name: (E)-2-butenedioic acid; 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-3-isobutyl-7H-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C35H44N6O6
MOLECULAR WEIGHT: 644.76046
SMILES: CCN1C(=O)C2=C(N=C(N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N(C1=O)CC(C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90749-47-6
CAS Name: 8-[2-[2-[(diphenylmethyl)-ethylamino]ethyl-ethylamino]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
OPENEYE Name: 8-[2-[2-[benzhydryl(ethyl)amino]ethyl-ethyl-amino]ethyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione dihydrochloride
IUPAC Name: 8-[2-[2-[benzhydryl(ethyl)amino]ethyl-ethylamino]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
SYSTEMATIC NAME: 8-[2-[2-[(diphenylmethyl)-ethyl-amino]ethyl-ethyl-amino]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
MOLECULAR FORMULA: C31H44Cl2N6O2
MOLECULAR WEIGHT: 603.62606
SMILES: CCN(CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C)CCN(CC)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 90749-52-3
CAS Name: 8-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
OPENEYE Name: 8-[2-(4-benzhydryloxy-1-piperidyl)ethyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione dihydrochloride
IUPAC Name: 8-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
SYSTEMATIC NAME: 8-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione dihydrochloride
MOLECULAR FORMULA: C30H39Cl2N5O3
MOLECULAR WEIGHT: 588.56836
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl
Structure:
CAS RN: 90749-51-2
CAS Name: (E)-2-butenedioic acid; 8-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,7-dimethyl-3-propylpurine-2,6-dione
OPENEYE Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,7-dimethyl-3-propyl-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,7-dimethyl-3-propylpurine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1,7-dimethyl-3-propyl-purine-2,6-dione
MOLECULAR FORMULA: C34H42N6O6
MOLECULAR WEIGHT: 630.73388
SMILES: CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90749-48-7
CAS Name: 8-[2-[2-[(diphenylmethyl)-ethylamino]ethyl-ethylamino]ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione dihydrochloride
OPENEYE Name: 8-[2-[2-[benzhydryl(ethyl)amino]ethyl-ethyl-amino]ethyl]-3-isobutyl-1,7-dimethyl-purine-2,6-dione dihydrochloride
IUPAC Name: 8-[2-[2-[benzhydryl(ethyl)amino]ethyl-ethylamino]ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione dihydrochloride
SYSTEMATIC NAME: 8-[2-[2-[(diphenylmethyl)-ethyl-amino]ethyl-ethyl-amino]ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione dihydrochloride
MOLECULAR FORMULA: C32H46Cl2N6O2
MOLECULAR WEIGHT: 617.65264
SMILES: CCN(CCC1=NC2=C(N1C)C(=O)N(C(=O)N2CC(C)C)C)CCN(CC)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 90749-56-7
CAS Name: (E)-2-butenedioic acid; 8-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 8-[3-(4-benzhydryloxy-1-piperidyl)propyl]-3-isobutyl-1,7-dimethyl-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C36H45N5O7
MOLECULAR WEIGHT: 659.7718
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90749-54-5
CAS Name: (E)-2-butenedioic acid; 8-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 8-[2-(4-benzhydryloxy-1-piperidyl)ethyl]-3-isobutyl-1,7-dimethyl-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C35H43N5O7
MOLECULAR WEIGHT: 645.74522
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 90749-46-5
CAS Name: 8-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione; (E)-2-butenedioic acid
OPENEYE Name: 8-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-3-isobutyl-1,7-dimethyl-purine-2,6-dione; fumaric acid
IUPAC Name: 8-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 8-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C35H42F2N6O6
MOLECULAR WEIGHT: 680.741386
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 102612-87-3
CAS Name: potassium 8-methyl-6-oxo-3,7-dihydropurin-2-olate dihydrate
OPENEYE Name: potassium 8-methyl-6-oxo-3,7-dihydropurin-2-olate dihydrate
IUPAC Name: potassium 8-methyl-6-oxo-3,7-dihydropurin-2-olate dihydrate
SYSTEMATIC NAME: potassium 8-methyl-6-oxidanylidene-3,7-dihydropurin-2-olate dihydrate
MOLECULAR FORMULA: C6H9KN4O4
MOLECULAR WEIGHT: 240.25836
SMILES: CC1=NC2=C(N1)C(=O)N=C(N2)[O-].O.O.[K+]
Structure:
CAS RN: 104715-73-3
CAS Name: (2R,3S,5S)-5-[2-(4-butylanilino)-6-chloro-9-purinyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3S,5S)-5-[2-(4-butylanilino)-6-chloro-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3S,5S)-5-[2-(4-butylanilino)-6-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3S,5S)-5-[2-[(4-butylphenyl)amino]-6-chloranyl-purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C20H24ClN5O3
MOLECULAR WEIGHT: 417.88926
SMILES: CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3[C@@H]4C[C@@H]([C@H](O4)CO)O
Structure:
CAS RN: 102612-81-7
CAS Name: 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-[3-[(dimethylamino)methyl]norbornan-2-yl]-N,N-dimethyl-propan-1-amine
IUPAC Name: 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-[3-[(dimethylamino)methyl]-2-bicyclo[2.2.1]heptanyl]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C15H30N2
MOLECULAR WEIGHT: 238.4121
SMILES: CN(C)CCCC1C2CCC(C2)C1CN(C)C
Structure:
CAS RN: 97670-06-9
CAS Name: N-(4-methoxyphenyl)carbamic acid [(Z)-[3-[4-(1-oxopropyl)-1-piperazinyl]-1-phenylpropylidene]amino] ester hydrochloride
OPENEYE Name: [(Z)-[1-phenyl-3-(4-propanoylpiperazin-1-yl)propylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
IUPAC Name: [(Z)-[1-phenyl-3-(4-propanoylpiperazin-1-yl)propylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [(Z)-[1-phenyl-3-(4-propanoylpiperazin-1-yl)propylidene]amino] N-(4-methoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C24H31ClN4O4
MOLECULAR WEIGHT: 474.98034
SMILES: CCC(=O)N1CCN(CC1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3.Cl
Structure:
CAS RN: 97670-07-0
CAS Name: N-(4-methoxyphenyl)carbamic acid [(Z)-[1-phenyl-3-(1-piperazinyl)propylidene]amino] ester dihydrochloride
OPENEYE Name: [(Z)-(1-phenyl-3-piperazin-1-yl-propylidene)amino] N-(4-methoxyphenyl)carbamate dihydrochloride
IUPAC Name: [(Z)-(1-phenyl-3-piperazin-1-ylpropylidene)amino] N-(4-methoxyphenyl)carbamate dihydrochloride
SYSTEMATIC NAME: [(Z)-(1-phenyl-3-piperazin-1-yl-propylidene)amino] N-(4-methoxyphenyl)carbamate dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N4O3
MOLECULAR WEIGHT: 455.37802
SMILES: COC1=CC=C(C=C1)NC(=O)O/N=C(/CCN2CCNCC2)\C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 103386-31-8
CAS Name: 3-(4-methyl-1-piperidinyl)-1-(4-propoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-(4-methyl-1-piperidyl)-1-(4-propoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-(4-methylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-(4-methylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C18H28ClNO2
MOLECULAR WEIGHT: 325.87342
SMILES: CCCOC1=CC=C(C=C1)C(=O)CCN2CCC(CC2)C.Cl
Structure:
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