CAS RN: 122113-12-6
CAS Name: 7-methyl-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
OPENEYE Name: 7-methyl-2-morpholino-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
IUPAC Name: 7-methyl-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
SYSTEMATIC NAME: 7-methyl-2-morpholin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
MOLECULAR FORMULA: C11H15ClN4O2
MOLECULAR WEIGHT: 270.7154
SMILES: CN1C(=O)CC2=CN=C(N=C21)N3CCOCC3.Cl
Structure:
CAS RN: 122113-10-4
CAS Name: 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
OPENEYE Name: 2-(isopropylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
IUPAC Name: 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
SYSTEMATIC NAME: 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride
MOLECULAR FORMULA: C10H15ClN4O
MOLECULAR WEIGHT: 242.7053
SMILES: CC(C)NC1=NC=C2CC(=O)N(C2=N1)C.Cl
Structure:
CAS RN: 122113-07-9
CAS Name: N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-1-piperazinecarboxamide
OPENEYE Name: N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
IUPAC Name: N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-4-(7-methyl-6-oxidanylidene-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C16H24N6O2
MOLECULAR WEIGHT: 332.40076
SMILES: CCN(CC)C(=O)N1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
Structure:
CAS RN: 122112-80-5
CAS Name: 2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
OPENEYE Name: 2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC Name: 2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SYSTEMATIC NAME: 2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
MOLECULAR FORMULA: C12H17N5O
MOLECULAR WEIGHT: 247.29628
SMILES: CN1C(=O)CC2=CN=C(N=C21)N3CCCNCC3
Structure:
CAS RN: 122100-47-4
CAS Name: 5-fluoro-2,4-dioxo-N-(4-trimethylsilylbutyl)-1-pyrimidinecarboxamide
OPENEYE Name: 5-fluoro-2,4-dioxo-N-(4-trimethylsilylbutyl)pyrimidine-1-carboxamide
IUPAC Name: 5-fluoro-2,4-dioxo-N-(4-trimethylsilylbutyl)pyrimidine-1-carboxamide
SYSTEMATIC NAME: 5-fluoranyl-2,4-bis(oxidanylidene)-N-(4-trimethylsilylbutyl)pyrimidine-1-carboxamide
MOLECULAR FORMULA: C12H20FN3O3Si
MOLECULAR WEIGHT: 301.389403
SMILES: C[Si](C)(C)CCCCNC(=O)N1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 122051-34-7
CAS Name: acetic acid [3-[[3-acetyloxy-4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] ester
OPENEYE Name: [3-[3-acetoxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acet
IUPAC Name: [3-[3-acetyloxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
SYSTEMATIC NAME: [3-[3-acetyloxy-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] eth
MOLECULAR FORMULA: C41H58O18
MOLECULAR WEIGHT: 838.88842
SMILES: CC1C(C(C(C(O1)OC2CC3(CCC4C(C3(CC2OC(=O)C)C=O)CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)O)OC(=O)C)OC)OC7C(C(C(C(O7)CO)O)O)O
Structure:
CAS RN: 122033-04-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H9N3S2
MOLECULAR WEIGHT: 283.37136
SMILES: C1=CC=C2C(=C1)C3=NN=CN3C4=C(S2)C=CC(=C4)S
Structure:
CAS RN: 122033-01-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10N4S
MOLECULAR WEIGHT: 266.321
SMILES: C1=CC=C2C(=C1)C3=NN=CN3C4=C(S2)C=CC(=C4)N
Structure:
CAS RN: 122027-55-8
CAS Name: 2-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
OPENEYE Name: 2-[2-(1H-imidazol-5-yl)-1-phenyl-ethyl]pyridine
IUPAC Name: 2-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
SYSTEMATIC NAME: 2-[2-(1H-imidazol-5-yl)-1-phenyl-ethyl]pyridine
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=CC=N3
Structure:
CAS RN: 122027-54-7
CAS Name: 3-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
OPENEYE Name: 3-[2-(1H-imidazol-5-yl)-1-phenyl-ethyl]pyridine
IUPAC Name: 3-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
SYSTEMATIC NAME: 3-[2-(1H-imidazol-5-yl)-1-phenyl-ethyl]pyridine
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CN=CC=C3
Structure:
CAS RN: 122009-60-3
CAS Name: 4-pentoxy-2-(4-prop-2-enyl-1-piperazinyl)quinazoline dihydrochloride
OPENEYE Name: 2-(4-allylpiperazin-1-yl)-4-pentoxy-quinazoline dihydrochloride
IUPAC Name: 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline dihydrochloride
SYSTEMATIC NAME: 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline dihydrochloride
MOLECULAR FORMULA: C20H30Cl2N4O
MOLECULAR WEIGHT: 413.3844
SMILES: CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.Cl.Cl
Structure:
CAS RN: 122001-66-5
CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2-(2,6-dimethylphenyl)-1-piperazinyl]acetamide hydrochloride
OPENEYE Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2-(2,6-dimethylphenyl)piperazin-1-yl]acetamide hydrochloride
IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(2,6-dimethylphenyl)piperazin-1-yl]acetamide hydrochloride
SYSTEMATIC NAME: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2-(2,6-dimethylphenyl)piperazin-1-yl]ethanamide hydrochloride
MOLECULAR FORMULA: C24H31ClN6O3
MOLECULAR WEIGHT: 486.99434
SMILES: CC1=C(C(=CC=C1)C)C2CN(CCN2CC(=O)N)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl
Structure:
CAS RN: 122001-65-4
CAS Name: N2-[2-(1-azocanyl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine hydrochloride
OPENEYE Name: N2-[2-(azocan-1-yl)ethyl]-6,7-dimethoxy-quinazoline-2,4-diamine hydrochloride
IUPAC Name: 2-N-[2-(azocan-1-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine hydrochloride
SYSTEMATIC NAME: N2-[2-(azocan-1-yl)ethyl]-6,7-dimethoxy-quinazoline-2,4-diamine hydrochloride
MOLECULAR FORMULA: C19H30ClN5O2
MOLECULAR WEIGHT: 395.9268
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)NCCN3CCCCCCC3)N)OC.Cl
Structure:
CAS RN: 122001-64-3
CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-[2,3-dichloro-4-[oxo(thiophen-2-yl)methyl]phenoxy]ethanone hydrochloride
OPENEYE Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]ethanone hydrochloride
IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]ethanone hydrochloride
SYSTEMATIC NAME: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-[2,3-bis(chloranyl)-4-thiophen-2-ylcarbonyl-phenoxy]ethanone hydrochloride
MOLECULAR FORMULA: C27H26Cl3N5O5S
MOLECULAR WEIGHT: 638.94984
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)COC4=C(C(=C(C=C4)C(=O)C5=CC=CS5)Cl)Cl)N)OC.Cl
Structure:
CAS RN: 121984-78-9
CAS Name: 3-[3-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride
OPENEYE Name: 3-[3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
IUPAC Name: 3-[3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
SYSTEMATIC NAME: 3-[3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
MOLECULAR FORMULA: C29H34Cl2N4OS2
MOLECULAR WEIGHT: 589.64246
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl.Cl
Structure:
CAS RN: 121943-15-5
CAS Name: 1-(diphenylmethyl)-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine; methanesulfonic acid
OPENEYE Name: 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
IUPAC Name: 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
MOLECULAR FORMULA: C34H40N2O6S4
MOLECULAR WEIGHT: 700.9512
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 121943-13-3
CAS Name: 1-(diphenylmethyl)-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine dihydrochloride
OPENEYE Name: 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
IUPAC Name: 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
MOLECULAR FORMULA: C32H34Cl2N2S2
MOLECULAR WEIGHT: 581.66176
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl
Structure:
CAS RN: 121943-11-1
CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine dihydrochloride
OPENEYE Name: 1-benzhydryl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
IUPAC Name: 1-benzhydryl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C31H31Cl3N2S
MOLECULAR WEIGHT: 570.01524
SMILES: C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl
Structure:
CAS RN: 121943-10-0
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine; methanesulfonic acid
OPENEYE Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
IUPAC Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine; methanesulfonic acid
MOLECULAR FORMULA: C32H34N2O3S2
MOLECULAR WEIGHT: 558.75396
SMILES: CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 121943-09-7
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine; methanesulfonic acid
OPENEYE Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
IUPAC Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine; methanesulfonic acid
MOLECULAR FORMULA: C33H38N2O6S3
MOLECULAR WEIGHT: 654.85962
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 121943-08-6
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine dihydrochloride
OPENEYE Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
IUPAC Name: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(diphenylmethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C31H32Cl2N2S
MOLECULAR WEIGHT: 535.57018
SMILES: C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl
Structure:
CAS RN: 121943-05-3
CAS Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride
OPENEYE Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
IUPAC Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
SYSTEMATIC NAME: 3-[3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
MOLECULAR FORMULA: C28H31Cl3N4OS
MOLECULAR WEIGHT: 577.99594
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=CC=CC=C5SC6=C4C=C(C=C6)Cl.Cl.Cl
Structure:
CAS RN: 121943-03-1
CAS Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride
OPENEYE Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
IUPAC Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
SYSTEMATIC NAME: 3-[3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
MOLECULAR FORMULA: C28H31Cl3N4OS
MOLECULAR WEIGHT: 577.99594
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=C(C=CC(=C5)Cl)SC6=CC=CC=C46.Cl.Cl
Structure:
CAS RN: 121943-01-9
CAS Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride
OPENEYE Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
IUPAC Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
SYSTEMATIC NAME: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
MOLECULAR FORMULA: C28H32Cl2N4OS
MOLECULAR WEIGHT: 543.55088
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=CC=CC=C5SC6=CC=CC=C46.Cl.Cl
Structure:
CAS RN: 121942-99-2
CAS Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrochloride
OPENEYE Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
IUPAC Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
SYSTEMATIC NAME: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
MOLECULAR FORMULA: C26H29ClN4OS2
MOLECULAR WEIGHT: 513.11766
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=C(SCC6=CC=CC=C46)SC=C5.Cl
Structure:
CAS RN: 121942-97-0
CAS Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrochloride
OPENEYE Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
IUPAC Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
SYSTEMATIC NAME: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
MOLECULAR FORMULA: C29H33ClN4OS
MOLECULAR WEIGHT: 521.11652
SMILES: CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl
Structure:
CAS RN: 121942-95-8
CAS Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrochloride
OPENEYE Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
IUPAC Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
SYSTEMATIC NAME: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
MOLECULAR FORMULA: C28H31ClN4OS
MOLECULAR WEIGHT: 507.08994
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=CC=CC=C5CSC6=CC=CC=C46.Cl
Structure:
CAS RN: 121942-93-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H33ClN4O
MOLECULAR WEIGHT: 489.05152
SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl
Structure:
CAS RN: 121936-22-9
CAS Name: 5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
OPENEYE Name: 5-[(4-allyloxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine
IUPAC Name: 5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C15H18N4O2
MOLECULAR WEIGHT: 286.32902
SMILES: COC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC=C
Structure:
CAS RN: 121929-34-8
CAS Name: 6-chloro-3-(1-imidazolylmethyl)-1,2-benzoxazole hydrochloride
OPENEYE Name: 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzoxazole hydrochloride
IUPAC Name: 6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzoxazole hydrochloride
SYSTEMATIC NAME: 6-chloranyl-3-(imidazol-1-ylmethyl)-1,2-benzoxazole hydrochloride
MOLECULAR FORMULA: C11H9Cl2N3O
MOLECULAR WEIGHT: 270.11466
SMILES: C1=CC2=C(C=C1Cl)ON=C2CN3C=CN=C3.Cl
Structure:
CAS RN: 121923-73-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H47NO11
MOLECULAR WEIGHT: 633.72638
SMILES: CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@@H]4C[C@]([C@@H]6OC(=O)C7=CC=C(C=C7)OC)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
Structure:
CAS RN: 121879-78-5
CAS Name: 3-(4-methyl-1-piperazinyl)-6-nitro-1H-indazole hydrochloride
OPENEYE Name: 3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole hydrochloride
IUPAC Name: 3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole hydrochloride
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole hydrochloride
MOLECULAR FORMULA: C12H16ClN5O2
MOLECULAR WEIGHT: 297.74074
SMILES: CN1CCN(CC1)C2=NNC3=C2C=CC(=C3)[N+](=O)[O-].Cl
Structure:
CAS RN: 121866-05-5
CAS Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
OPENEYE Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
IUPAC Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
SYSTEMATIC NAME: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: C1CC2=CC=CC=C2C3=NNC(=O)CC31
Structure:
CAS RN: 121866-04-4
CAS Name: 2-chloro-N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)propanamide
OPENEYE Name: 2-chloro-N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)propanamide
IUPAC Name: 2-chloro-N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)propanamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-oxidanylidene-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)propanamide
MOLECULAR FORMULA: C15H16ClN3O2
MOLECULAR WEIGHT: 305.75944
SMILES: CC(C(=O)NC1=CC2=C(C=C1)C3=NNC(=O)CC3CC2)Cl
Structure:
CAS RN: 121866-02-2
CAS Name: 3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile
OPENEYE Name: 3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile
IUPAC Name: 3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile
SYSTEMATIC NAME: 3-oxidanylidene-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: C1CC2=C(C=CC(=C2)C#N)C3=NNC(=O)CC31
Structure:
CAS RN: 121819-08-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19N3
MOLECULAR WEIGHT: 253.34216
SMILES: CN1CCN2CC3=CC=CC=C3N4C=CC=C4C2C1
Structure:
CAS RN: 121771-84-4
CAS Name: sulfuric acid; 3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
OPENEYE Name: sulfuric acid; 3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
IUPAC Name: sulfuric acid; 3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
SYSTEMATIC NAME: sulfuric acid; 3,5,6,11-tetrahydro-2H-imidazo[1,2-c][3]benzazepine
MOLECULAR FORMULA: C12H16N2O4S
MOLECULAR WEIGHT: 284.33144
SMILES: C1CN2CCN=C2CC3=CC=CC=C31.OS(=O)(=O)O
Structure:
CAS RN: 121771-79-7
CAS Name: N-(2-phenylethyl)-2,5-dihydro-1H-3-benzazepin-4-amine hydroiodide
OPENEYE Name: N-(2-phenylethyl)-2,5-dihydro-1H-3-benzazepin-4-amine hydroiodide
IUPAC Name: N-(2-phenylethyl)-2,5-dihydro-1H-3-benzazepin-4-amine hydroiodide
SYSTEMATIC NAME: N-(2-phenylethyl)-2,5-dihydro-1H-3-benzazepin-4-amine hydroiodide
MOLECULAR FORMULA: C18H21IN2
MOLECULAR WEIGHT: 392.27721
SMILES: C1CN=C(CC2=CC=CC=C21)NCCC3=CC=CC=C3.I
Structure:
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