CAS RN: 74553-57-4
CAS Name: 9-hydroxyanthracene-1,4-dione
OPENEYE Name: 9-hydroxyanthracene-1,4-dione
IUPAC Name: 9-hydroxyanthracene-1,4-dione
SYSTEMATIC NAME: 9-oxidanylanthracene-1,4-dione
MOLECULAR FORMULA: C14H8O3
MOLECULAR WEIGHT: 224.21152
SMILES: C1=CC=C2C(=C1)C=C3C(=O)C=CC(=O)C3=C2O
Structure:
CAS RN: 106976-01-6
CAS Name: N-[2-(dimethylamino)ethyl]-7-methoxy-1-phenazinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-7-methoxy-phenazine-1-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-7-methoxyphenazine-1-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-7-methoxy-phenazine-1-carboxamide
MOLECULAR FORMULA: C18H20N4O2
MOLECULAR WEIGHT: 324.377
SMILES: CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)OC
Structure:
CAS RN: 106626-83-9
CAS Name: 8-chloro-N-[2-(dimethylamino)ethyl]-4-acridinecarboxamide
OPENEYE Name: 8-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
IUPAC Name: 8-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SYSTEMATIC NAME: 8-chloranyl-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
MOLECULAR FORMULA: C18H18ClN3O
MOLECULAR WEIGHT: 327.80802
SMILES: CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21
Structure:
CAS RN: 106626-81-7
CAS Name: N-[2-(dimethylamino)ethyl]-8-methyl-4-acridinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-8-methyl-acridine-4-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-8-methylacridine-4-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-8-methyl-acridine-4-carboxamide
MOLECULAR FORMULA: C19H21N3O
MOLECULAR WEIGHT: 307.38954
SMILES: CC1=C2C=C3C=CC=C(C3=NC2=CC=C1)C(=O)NCCN(C)C
Structure:
CAS RN: 106626-78-2
CAS Name: N-[2-(dimethylamino)ethyl]-7-methyl-4-acridinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-7-methyl-acridine-4-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-7-methylacridine-4-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-7-methyl-acridine-4-carboxamide
MOLECULAR FORMULA: C19H21N3O
MOLECULAR WEIGHT: 307.38954
SMILES: CC1=CC2=C(C=C1)N=C3C(=C2)C=CC=C3C(=O)NCCN(C)C
Structure:
CAS RN: 112421-80-4
CAS Name: N-[2-(dimethylamino)ethyl]-6-phenyl-4-phenanthridinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-6-phenyl-phenanthridine-4-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-6-phenyl-phenanthridine-4-carboxamide
MOLECULAR FORMULA: C24H23N3O
MOLECULAR WEIGHT: 369.45892
SMILES: CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=C4
Structure:
CAS RN: 107027-15-6
CAS Name: N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-8-quinolinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2-(4-pyridyl)quinoline-8-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-quinoline-8-carboxamide
MOLECULAR FORMULA: C19H20N4O
MOLECULAR WEIGHT: 320.3883
SMILES: CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=NC=C3
Structure:
CAS RN: 121139-99-9
CAS Name: 6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
OPENEYE Name: 6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
IUPAC Name: 6-chloro-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine
SYSTEMATIC NAME: 6-chloranyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine
MOLECULAR FORMULA: C7H5ClN4O2
MOLECULAR WEIGHT: 212.5932
SMILES: C1=CC2=C(C=C1Cl)N(C(=N)N=[N+]2[O-])O
Structure:
CAS RN: 103422-53-3
CAS Name: 7-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
OPENEYE Name: 7-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
IUPAC Name: 7-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SYSTEMATIC NAME: 7-azanyl-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: C1C2CC(=O)NN=C2C3=C1C=C(C=C3)N
Structure:
CAS RN: 109317-93-3
CAS Name: 5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C23H20N2O3
MOLECULAR WEIGHT: 372.4165
SMILES: C=CCC(C1=CC=CC=C1)C2(C(=O)N(C(=O)N(C2=O)CC#C)CC#C)CC#C
Structure:
CAS RN: 40105-20-2
CAS Name: 2-methoxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-methoxypropanoate
IUPAC Name: ethyl 2-methoxypropanoate
SYSTEMATIC NAME: ethyl 2-methoxypropanoate
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CCOC(=O)C(C)OC
Structure:
CAS RN: 500871-60-3
CAS Name: N-[2-(diethylamino)-2-oxoethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-(diethylamino)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[2-(diethylamino)-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-(diethylamino)-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C11H22N2O3
MOLECULAR WEIGHT: 230.30398
SMILES: CCN(CC)C(=O)CNC(=O)OC(C)(C)C
Structure:
CAS RN: 130250-54-3
CAS Name: piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester
OPENEYE Name: O1-tert-butyl O3-ethyl piperidine-1,3-dicarboxylate
IUPAC Name: 1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O3-ethyl piperidine-1,3-dicarboxylate
MOLECULAR FORMULA: C13H23NO4
MOLECULAR WEIGHT: 257.32602
SMILES: CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Structure:
CAS RN: 22996-21-0
CAS Name: 4-methoxy-2-nitrobenzaldehyde
OPENEYE Name: 4-methoxy-2-nitro-benzaldehyde
IUPAC Name: 4-methoxy-2-nitrobenzaldehyde
SYSTEMATIC NAME: 4-methoxy-2-nitro-benzaldehyde
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: COC1=CC(=C(C=C1)C=O)[N+](=O)[O-]
Structure:
CAS RN: 97633-91-5
CAS Name: N,N-dimethyl-2-[(4-phenyl-2-quinolinyl)thio]ethanamine hydrochloride
OPENEYE Name: N,N-dimethyl-2-[(4-phenyl-2-quinolyl)sulfanyl]ethanamine hydrochloride
IUPAC Name: N,N-dimethyl-2-(4-phenylquinolin-2-yl)sulfanylethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-(4-phenylquinolin-2-yl)sulfanyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H21ClN2S
MOLECULAR WEIGHT: 344.90144
SMILES: CN(C)CCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3.Cl
Structure:
CAS RN: 21955-55-5
CAS Name: methyl-diphenyl-(phenylmethyl)phosphonium bromide
OPENEYE Name: benzyl-methyl-diphenyl-phosphonium bromide
IUPAC Name: benzyl-methyl-diphenylphosphanium bromide
SYSTEMATIC NAME: methyl-diphenyl-(phenylmethyl)phosphanium bromide
MOLECULAR FORMULA: C20H20BrP
MOLECULAR WEIGHT: 371.250561
SMILES: C[P+](CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 31082-06-1
CAS Name: ethyl-methyl-phenyl-(phenylmethyl)phosphonium iodide
OPENEYE Name: benzyl-ethyl-methyl-phenyl-phosphonium iodide
IUPAC Name: benzyl-ethyl-methyl-phenylphosphanium iodide
SYSTEMATIC NAME: ethyl-methyl-phenyl-(phenylmethyl)phosphanium iodide
MOLECULAR FORMULA: C16H20IP
MOLECULAR WEIGHT: 370.208231
SMILES: CC[P+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[I-]
Structure:
CAS RN: 269-20-5
CAS Name: benzo[f][2,1,3]benzoselenadiazole
OPENEYE Name: benzo[f][2,1,3]benzoselenadiazole
IUPAC Name: benzo[f][2,1,3]benzoselenadiazole
SYSTEMATIC NAME: benzo[f][2,1,3]benzoselenadiazole
MOLECULAR FORMULA: C10H6N2Se
MOLECULAR WEIGHT: 233.12804
SMILES: C1=CC2=CC3=N[Se]N=C3C=C2C=C1
Structure:
CAS RN: 1126-12-1
CAS Name: 5-methoxy-2,1,3-benzoselenadiazole
OPENEYE Name: 5-methoxy-2,1,3-benzoselenadiazole
IUPAC Name: 5-methoxy-2,1,3-benzoselenadiazole
SYSTEMATIC NAME: 5-methoxy-2,1,3-benzoselenadiazole
MOLECULAR FORMULA: C7H6N2OSe
MOLECULAR WEIGHT: 213.09534
SMILES: COC1=CC2=N[Se]N=C2C=C1
Structure:
CAS RN: 100676-08-2
CAS Name: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
OPENEYE Name: 6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
IUPAC Name: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
SYSTEMATIC NAME: 6-[[2,3-bis(bromanyl)-4,5-bis(oxidanyl)phenyl]methyl]-6-methoxy-3,6a-bis(oxidanyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
MOLECULAR FORMULA: C14H14Br2O8
MOLECULAR WEIGHT: 470.06416
SMILES: COC1(C(=O)OC2C1(OCC2O)O)CC3=CC(=C(C(=C3Br)Br)O)O
Structure:
CAS RN: 100676-10-6
CAS Name: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
OPENEYE Name: 6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
IUPAC Name: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
SYSTEMATIC NAME: 6-[[2,3-bis(bromanyl)-4,5-bis(oxidanyl)phenyl]methyl]-3,6,6a-tris(oxidanyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
MOLECULAR FORMULA: C13H12Br2O8
MOLECULAR WEIGHT: 456.03758
SMILES: C1C(C2C(O1)(C(C(=O)O2)(CC3=CC(=C(C(=C3Br)Br)O)O)O)O)O
Structure:
CAS RN: 117648-83-6
CAS Name: 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethyl-3-pyrrolecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dimethyl-pyrrole-3-carboxylate
IUPAC Name: methyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,2-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-(4,5-dimethoxy-2-nitro-phenyl)-1,2-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C16H18N2O6
MOLECULAR WEIGHT: 334.32392
SMILES: CC1=C(C(=CN1C)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C(=O)OC
Structure:
CAS RN: 129655-21-6
CAS Name: 1-[2-[[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-oxomethyl]-1H-indol-5-yl]-3-[2-[[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-oxomethyl]-1H-indol-5-yl]urea
OPENEYE Name: 1-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]-3-[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
IUPAC Name: 1-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]-3-[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
SYSTEMATIC NAME: 1-[2-[[8-(chloromethyl)-1-methyl-4-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]carbonyl]-1H-indol-5-yl]-3-[2-[[(8S)-8-(chloromethyl)-1-methyl-4-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]carbonyl]-1H-indol-5-yl]urea
MOLECULAR FORMULA: C43H36Cl2N8O5
MOLECULAR WEIGHT: 815.70254
SMILES: CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8CC(C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O
Structure:
CAS RN: 14761-39-8
CAS Name: 2-chloro-1-(4-phenyl-1-piperazinyl)ethanone
OPENEYE Name: 2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
IUPAC Name: 2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(4-phenylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CCl
Structure:
CAS RN: 79831-76-8
CAS Name: (1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
OPENEYE Name: (1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
IUPAC Name: (1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
SYSTEMATIC NAME: (1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: C1CN2CC([C@H](C([C@H]2[C@H]1O)O)O)O
Structure:
CAS RN: 2138-98-9
CAS Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C8H6ClN3O
MOLECULAR WEIGHT: 195.60574
SMILES: C1=CC(=CC=C1C2=NN=C(O2)N)Cl
Structure:
CAS RN: 28004-62-8
CAS Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C8H6ClN3O
MOLECULAR WEIGHT: 195.60574
SMILES: C1=CC(=CC=C1C2=NN=C(O2)N)Cl
Structure:
CAS RN: 2240-12-2
CAS Name: 1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-2-pyrazinone
OPENEYE Name: 1-hydroxy-6-(1-hydroxy-2-methyl-propyl)-3-isobutyl-pyrazin-2-one
IUPAC Name: 1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one
SYSTEMATIC NAME: 6-(2-methyl-1-oxidanyl-propyl)-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-one
MOLECULAR FORMULA: C12H20N2O3
MOLECULAR WEIGHT: 240.2988
SMILES: CC(C)CC1=NC=C(N(C1=O)O)C(C(C)C)O
Structure:
CAS RN: 5259-67-6
CAS Name: 3-(6-aminopurin-9-yl)-2-azido-5-(hydroxymethyl)-1-cyclopentanol
OPENEYE Name: 3-(6-aminopurin-9-yl)-2-azido-5-(hydroxymethyl)cyclopentanol
IUPAC Name: 3-(6-aminopurin-9-yl)-2-azido-5-(hydroxymethyl)cyclopentan-1-ol
SYSTEMATIC NAME: 3-(6-aminopurin-9-yl)-2-azido-5-(hydroxymethyl)cyclopentan-1-ol
MOLECULAR FORMULA: C11H14N8O2
MOLECULAR WEIGHT: 290.28126
SMILES: C1C(C(C(C1N2C=NC3=C2N=CN=C3N)N=[N+]=[N-])O)CO
Structure:
CAS RN: 5259-66-5
CAS Name: tert-butyl-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-dimethylsilane
OPENEYE Name: tert-butyl-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethoxy-phenyl]vinyl]-2-methoxy-phenoxy]-dimethyl-silane
IUPAC Name: tert-butyl-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-dimethylsilane
SYSTEMATIC NAME: tert-butyl-[5-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethoxy-phenyl]ethenyl]-2-methoxy-phenoxy]-dimethyl-silane
MOLECULAR FORMULA: C29H46O5Si2
MOLECULAR WEIGHT: 530.84354
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=CC2=C(C(=C(C=C2)OC)OC)O[Si](C)(C)C(C)(C)C)OC
Structure:
CAS RN: 27315-02-2
CAS Name: N-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)acetamide
OPENEYE Name: N-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)acetamide
IUPAC Name: N-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)acetamide
SYSTEMATIC NAME: N-(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)ethanamide
MOLECULAR FORMULA: C9H8N4O3
MOLECULAR WEIGHT: 220.18482
SMILES: CC(=O)N=C1N=[N+](C2=CC=CC=C2N1O)[O-]
Structure:
CAS RN: 55950-33-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20ClNO5
MOLECULAR WEIGHT: 413.8509
SMILES: C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC(=C(C=C5C=C4)OC)OC)OC)OCO3.[Cl-]
Structure:
CAS RN: 55950-34-0
CAS Name: 2,3,7,8,10-pentamethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
OPENEYE Name: 2,3,7,8,10-pentamethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride
IUPAC Name: 2,3,7,8,10-pentamethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
SYSTEMATIC NAME: 2,3,7,8,10-pentamethoxy-5-methyl-benzo[c]phenanthridin-5-ium chloride
MOLECULAR FORMULA: C23H24ClNO5
MOLECULAR WEIGHT: 429.89336
SMILES: C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC(=C(C=C42)OC)OC.[Cl-]
Structure:
CAS RN: 2079-00-7
CAS Name: 3-[[3-amino-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
OPENEYE Name: 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
IUPAC Name: 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 3-[[3-azanyl-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C17H27ClN8O5
MOLECULAR WEIGHT: 458.89988
SMILES: CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N.Cl
Structure:
CAS RN: 121135-27-1
CAS Name: 3-methoxy-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
OPENEYE Name: 3-methoxy-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
IUPAC Name: 3-methoxy-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
SYSTEMATIC NAME: 3-methoxy-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide
MOLECULAR FORMULA: C8H7N3O3
MOLECULAR WEIGHT: 193.15948
SMILES: COC1=NN(C2=CC=CC=C2[N+]1=O)[O-]
Structure:
CAS RN: 72786-93-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12N4OS
MOLECULAR WEIGHT: 260.31488
SMILES: CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)N)C
Structure:
CAS RN: 82823-99-2
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OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H46N4O6
MOLECULAR WEIGHT: 678.81644
SMILES: C1CC1CN2CCC34C5C(=NN=C6CCC7(C8CC9=C1C7(C6OC1=C(C=C9)O)CCN8CC1CC1)O)CCC3(C2CC1=C4C(=C(C=C1)O)O5)O
Structure:
CAS RN: 1796-84-5
CAS Name: 4-ethoxy-3-nitropyridine
OPENEYE Name: 4-ethoxy-3-nitro-pyridine
IUPAC Name: 4-ethoxy-3-nitropyridine
SYSTEMATIC NAME: 4-ethoxy-3-nitro-pyridine
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CCOC1=C(C=NC=C1)[N+](=O)[O-]
Structure:
CAS RN: 121497-07-2
CAS Name: 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O5
MOLECULAR WEIGHT: 358.38838
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)NC(=O)C)C(=O)OC
Structure:
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