CAS RN: 28261-72-5
CAS Name: (Z)-1-[2-[(4-fluorophenyl)methyl]-5-oxazolyl]-3-hydroxy-3-(2-pyridinyl)-2-propen-1-one
OPENEYE Name: (Z)-1-[2-[(4-fluorophenyl)methyl]oxazol-5-yl]-3-hydroxy-3-(2-pyridyl)prop-2-en-1-one
IUPAC Name: (Z)-1-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-3-hydroxy-3-pyridin-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-3-oxidanyl-3-pyridin-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C18H13FN2O3
MOLECULAR WEIGHT: 324.305823
SMILES: C1=CC=NC(=C1)/C(=C/C(=O)C2=CN=C(O2)CC3=CC=C(C=C3)F)/O
CAS RN: 28261-38-3
CAS Name: (Z)-1-[2-[(4-fluorophenyl)methyl]-5-oxazolyl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)-2-propen-1-one
OPENEYE Name: (Z)-1-[2-[(4-fluorophenyl)methyl]oxazol-5-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
IUPAC Name: (Z)-1-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-3-oxidanyl-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
MOLECULAR FORMULA: C15H11FN4O3
MOLECULAR WEIGHT: 314.271243
SMILES: C1=CC(=CC=C1CC2=NC=C(O2)C(=O)/C=C(/C3=NC=NN3)\O)F
CAS RN: 63990-31-8
CAS Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[2-(1-piperidin-1-iumylidene)ethylidene]-1,3-benzothiazole
OPENEYE Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole
IUPAC Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole
SYSTEMATIC NAME: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-(2-piperidin-1-ium-1-ylideneethylidene)-1,3-benzothiazole
MOLECULAR FORMULA: C22H26N2O3S2
MOLECULAR WEIGHT: 430.58344
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C=[N+]3CCCCC3
CAS RN: 2115-48-2
CAS Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[8-[[5-methyl-7-(7-oxo-7-phenylheptyl)-2-imidazo[1,5-b]pyridazinyl]amino]octylamino]methyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[8-[[5-methyl-7-(7-oxo-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]octylamino]methyl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[8-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]octylamino]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[8-[[5-methyl-7-(7-oxidanylidene-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]octylamino]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C38H51N7O5
MOLECULAR WEIGHT: 685.85544
SMILES: CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCNCC4=CN(C(=O)NC4=O)C5C=CC(O5)CO
CAS RN: 21153-34-4
CAS Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[6-[[5-methyl-7-(7-oxo-7-phenylheptyl)-2-imidazo[1,5-b]pyridazinyl]amino]hexylamino]methyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[6-[[5-methyl-7-(7-oxo-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexylamino]methyl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[6-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexylamino]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[6-[[5-methyl-7-(7-oxidanylidene-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexylamino]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C36H47N7O5
MOLECULAR WEIGHT: 657.80228
SMILES: CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCNCC4=CN(C(=O)NC4=O)C5C=CC(O5)CO
CAS RN: 211555-08-7
CAS Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[12-[[5-methyl-7-(7-oxo-7-phenylheptyl)-2-imidazo[1,5-b]pyridazinyl]amino]dodecylamino]methyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[12-[[5-methyl-7-(7-oxo-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]dodecylamino]methyl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[12-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]dodecylamino]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[12-[[5-methyl-7-(7-oxidanylidene-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]dodecylamino]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C42H59N7O5
MOLECULAR WEIGHT: 741.96176
SMILES: CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCCCCCNCC4=CN(C(=O)NC4=O)C5C=CC(O5)CO
CAS RN: 2115-49-3
CAS Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[10-[[5-methyl-7-(7-oxo-7-phenylheptyl)-2-imidazo[1,5-b]pyridazinyl]amino]decylamino]methyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[10-[[5-methyl-7-(7-oxo-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]decylamino]methyl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[10-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]decylamino]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[10-[[5-methyl-7-(7-oxidanylidene-7-phenyl-heptyl)imidazo[1,5-b]pyridazin-2-yl]amino]decylamino]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C40H55N7O5
MOLECULAR WEIGHT: 713.9086
SMILES: CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCCCNCC4=CN(C(=O)NC4=O)C5C=CC(O5)CO
CAS RN: 7147-01-5
CAS Name: (E)-2-methyl-2-butenoic acid [3,6-dihydroxy-6,8a-dimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-7-oxo-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [3,6-dihydroxy-3-isopropyl-6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-oxo-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [3,6-dihydroxy-6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-oxo-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,6-bis(oxidanyl)-7-oxidanylidene-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C25H38O7
MOLECULAR WEIGHT: 450.56502
SMILES: C/C=C(\C)/C(=O)OC1CC(C(=O)C(C2(C1C(CC2)(C(C)C)O)C)OC(=O)/C(=C\C)/C)(C)O
CAS RN: 73652-55-8
CAS Name: (Z)-3-anilino-1,5-diphenyl-2-penten-1-one
OPENEYE Name: (Z)-3-anilino-1,5-diphenyl-pent-2-en-1-one
IUPAC Name: (Z)-3-anilino-1,5-diphenylpent-2-en-1-one
SYSTEMATIC NAME: (Z)-1,5-diphenyl-3-phenylazanyl-pent-2-en-1-one
MOLECULAR FORMULA: C23H21NO
MOLECULAR WEIGHT: 327.41894
SMILES: C1=CC=C(C=C1)CC/C(=C/C(=O)C2=CC=CC=C2)/NC3=CC=CC=C3
CAS RN: 2501-94-2
CAS Name: dibutyltin; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
OPENEYE Name: dibutyltin; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
IUPAC Name: dibutyltin; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
SYSTEMATIC NAME: dibutyltin; 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
MOLECULAR FORMULA: C17H22Cl6O4Sn
MOLECULAR WEIGHT: 621.78218
SMILES: CCCC[Sn]CCCC.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
CAS RN: 27817-73-8
CAS Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-3-indolyl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium iodide
OPENEYE Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-indol-3-yl)vinyl]imidazo[4,5-b]quinoxalin-3-ium iodide
IUPAC Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium iodide
SYSTEMATIC NAME: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-indol-3-yl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium iodide
MOLECULAR FORMULA: C30H28IN5
MOLECULAR WEIGHT: 585.48129
SMILES: CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)/C=C/C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6.[I-]
CAS RN: 56797-10-5
CAS Name: 1,3,3-trimethyl-2-[(E)-[methyl-(4-methylphenyl)hydrazinylidene]methyl]-2-indolol
OPENEYE Name: 1,3,3-trimethyl-2-[(E)-[methyl(p-tolyl)hydrazono]methyl]indolin-2-ol
IUPAC Name: 1,3,3-trimethyl-2-[(E)-[methyl-(4-methylphenyl)hydrazinylidene]methyl]indol-2-ol
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(E)-[methyl-(4-methylphenyl)hydrazinylidene]methyl]indol-2-ol
MOLECULAR FORMULA: C20H25N3O
MOLECULAR WEIGHT: 323.432
SMILES: CC1=CC=C(C=C1)N(C)/N=C/C2(C(C3=CC=CC=C3N2C)(C)C)O
CAS RN: 70700-33-3
CAS Name: hydrogen sulfate; 1,3,3-trimethyl-2-[(E)-2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium
OPENEYE Name: hydrogen sulfate; 1,3,3-trimethyl-2-[(E)-2-(2-methyl-3H-indol-3-yl)vinyl]indol-1-ium
IUPAC Name: hydrogen sulfate; 1,3,3-trimethyl-2-[(E)-2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium
SYSTEMATIC NAME: hydrogen sulfate; 1,3,3-trimethyl-2-[(E)-2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium
MOLECULAR FORMULA: C22H24N2O4S
MOLECULAR WEIGHT: 412.50196
SMILES: CC1=NC2=CC=CC=C2C1/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.OS(=O)(=O)[O-]
CAS RN: 5620-24-6
CAS Name: methanesulfonic acid [(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester
OPENEYE Name: [(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
IUPAC Name: [(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
SYSTEMATIC NAME: [(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
MOLECULAR FORMULA: C13H22O8S
MOLECULAR WEIGHT: 338.37398
SMILES: CC1(OC[C@@H](O1)C2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OS(=O)(=O)C)C
CAS RN: 57119-69-4
CAS Name: 1-[4-[(E)-2-[4-[[[3-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]phenyl]ethenyl]phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
OPENEYE Name: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[(E)-2-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]vinyl]phenyl]urea
IUPAC Name: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[(E)-2-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]ethenyl]phenyl]urea
SYSTEMATIC NAME: 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[(E)-2-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]ethenyl]phenyl]urea
MOLECULAR FORMULA: C34H32N8O2
MOLECULAR WEIGHT: 584.67028
SMILES: C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C6=NCCN6
CAS RN: 21220-89-3
CAS Name: N-[(E)-1-phenylethylideneamino]-N-[[4-[(N-[(E)-1-phenylethylideneamino]anilino)methyl]phenyl]methyl]aniline
OPENEYE Name: N-[(E)-1-phenylethylideneamino]-N-[[4-[(N-[(E)-1-phenylethylideneamino]anilino)methyl]phenyl]methyl]aniline
IUPAC Name: N-[(E)-1-phenylethylideneamino]-N-[[4-[(N-[(E)-1-phenylethylideneamino]anilino)methyl]phenyl]methyl]aniline
SYSTEMATIC NAME: N-[(E)-1-phenylethylideneamino]-N-[[4-[[phenyl-[(E)-1-phenylethylideneamino]amino]methyl]phenyl]methyl]aniline
MOLECULAR FORMULA: C36H34N4
MOLECULAR WEIGHT: 522.68196
SMILES: C/C(=N\N(C1=CC=CC=C1)CC2=CC=C(C=C2)CN(/N=C(/C3=CC=CC=C3)\C)C4=CC=CC=C4)/C5=CC=CC=C5
CAS RN: 63939-02-6
CAS Name: [(Z)-5-methyl-3-phenylhept-3-en-4-yl]benzene
OPENEYE Name: [(Z)-1-ethyl-3-methyl-2-phenyl-pent-1-enyl]benzene
IUPAC Name: [(Z)-5-methyl-3-phenylhept-3-en-4-yl]benzene
SYSTEMATIC NAME: [(Z)-5-methyl-3-phenyl-hept-3-en-4-yl]benzene
MOLECULAR FORMULA: C20H24
MOLECULAR WEIGHT: 264.40456
SMILES: CCC(C)/C(=C(\CC)/C1=CC=CC=C1)/C2=CC=CC=C2
CAS RN: 1050-10-8
CAS Name: 1-[(E)-1-chloro-1-(4-methoxyphenyl)but-1-en-2-yl]-4-methoxybenzene
OPENEYE Name: 1-[(E)-1-chloro-2-(4-methoxyphenyl)but-1-enyl]-4-methoxy-benzene
IUPAC Name: 1-[(E)-1-chloro-1-(4-methoxyphenyl)but-1-en-2-yl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[(E)-1-chloranyl-1-(4-methoxyphenyl)but-1-en-2-yl]-4-methoxy-benzene
MOLECULAR FORMULA: C18H19ClO2
MOLECULAR WEIGHT: 302.79526
SMILES: CC/C(=C(/C1=CC=C(C=C1)OC)\Cl)/C2=CC=C(C=C2)OC
CAS RN: 6947-65-5
CAS Name: 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine; 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole
OPENEYE Name: 1-(diaminomethylene)-2-(o-tolyl)guanidine; 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole
IUPAC Name: 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine; 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(2-methylphenyl)guanidine; 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole
MOLECULAR FORMULA: C16H28N8
MOLECULAR WEIGHT: 332.44712
SMILES: CC1CCC2C(C1)NNN2.CC1=CC=CC=C1N=C(N)N=C(N)N
CAS RN: 6947-67-7
CAS Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole; 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole; 1-(diaminomethylene)-2-(o-tolyl)guanidine
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole; 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole; 1-[bis(azanyl)methylidene]-2-(2-methylphenyl)guanidine
MOLECULAR FORMULA: C15H26N8
MOLECULAR WEIGHT: 318.42054
SMILES: CC1=CC=CC=C1N=C(N)N=C(N)N.C1CCC2C(C1)NNN2
CAS RN: 4701-65-9
CAS Name: 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
OPENEYE Name: 1-(diaminomethylene)-2-(1H-1,2,4-triazol-5-yl)guanidine
IUPAC Name: 1-(diaminomethylidene)-2-(1H-1,2,4-triazol-5-yl)guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
MOLECULAR FORMULA: C4H8N8
MOLECULAR WEIGHT: 168.15992
SMILES: C1=NNC(=N1)/N=C(\N)/N=C(N)N
CAS RN: 23189-60-8
CAS Name: (E)-1-(4-chlorophenyl)-3-(5-chloro-2-thiophenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(4-chlorophenyl)-3-(5-chloro-2-thienyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(5-chloranylthiophen-2-yl)-1-(4-chlorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C13H8Cl2OS
MOLECULAR WEIGHT: 283.17302
SMILES: C1=CC(=CC=C1C(=O)/C=C/C2=CC=C(S2)Cl)Cl
CAS RN: 94659-40-2
CAS Name: N,N-diethylethanamine; 3-[2-[(E)-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]-1-benzo[e][1,3]benzothiazol-1-iumyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[2-[(E)-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[2-[(E)-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[2-[(E)-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C31H39N3O6S4
MOLECULAR WEIGHT: 677.91786
SMILES: CCN(CC)CC.C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)/C=C/4\N(C5=CC=CC=C5S4)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-]
CAS RN: 51742-11-1
CAS Name: 1-(3,5-dichlorophenyl)-2-[4-[(1-ethyl-3-pyrrolidinyl)methylamino]-6-methyl-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,5-dichlorophenyl)-2-[4-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,5-dichlorophenyl)-2-[4-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-2-[4-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methyl-pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C19H25Cl2N7
MOLECULAR WEIGHT: 422.3547
SMILES: CCN1CCC(C1)CNC2=NC(=NC(=C2)C)/N=C(\N)/NC3=CC(=CC(=C3)Cl)Cl
CAS RN: 51739-11-8
CAS Name: 1-(3,4-dichlorophenyl)-2-[4-methyl-6-(4-methyl-1,4-diazepan-1-yl)-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-[4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-[4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C18H23Cl2N7
MOLECULAR WEIGHT: 408.32812
SMILES: CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl)N3CCCN(CC3)C
CAS RN: 51741-78-7
CAS Name: 1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)anilino]-6-methyl-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)anilino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)anilino]-6-methylpyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-[4-[[3-(diethylaminomethyl)phenyl]amino]-6-methyl-pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C23H27Cl2N7
MOLECULAR WEIGHT: 472.41338
SMILES: CCN(CC)CC1=CC(=CC=C1)NC2=NC(=NC(=C2)C)/N=C(\N)/NC3=CC(=C(C=C3)Cl)Cl
CAS RN: 5173-70-6
CAS Name: 1-(3,4-dichlorophenyl)-2-[4-[5-(diethylamino)pentan-2-ylamino]-6-methyl-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-[4-[[4-(diethylamino)-1-methyl-butyl]amino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-[4-[5-(diethylamino)pentan-2-ylamino]-6-methyl-pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C21H31Cl2N7
MOLECULAR WEIGHT: 452.42374
SMILES: CCN(CC)CCCC(C)NC1=NC(=NC(=C1)C)/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl
CAS RN: 51731-17-0
CAS Name: 2-[4-[2-[bis(prop-2-enyl)amino]ethylamino]-6-methyl-2-pyrimidinyl]-1-(3,4-dichlorophenyl)guanidine
OPENEYE Name: 2-[4-[2-(diallylamino)ethylamino]-6-methyl-pyrimidin-2-yl]-1-(3,4-dichlorophenyl)guanidine
IUPAC Name: 2-[4-[2-[bis(prop-2-enyl)amino]ethylamino]-6-methylpyrimidin-2-yl]-1-(3,4-dichlorophenyl)guanidine
SYSTEMATIC NAME: 2-[4-[2-[bis(prop-2-enyl)amino]ethylamino]-6-methyl-pyrimidin-2-yl]-1-(3,4-dichlorophenyl)guanidine
MOLECULAR FORMULA: C20H25Cl2N7
MOLECULAR WEIGHT: 434.3654
SMILES: CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl)NCCN(CC=C)CC=C
CAS RN: 5173-69-3
CAS Name: 1-(3,4-dichlorophenyl)-2-[4-[2-(diethylamino)propylamino]-6-methyl-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-[4-[2-(diethylamino)propylamino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-[2-(diethylamino)propylamino]-6-methylpyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-[4-[2-(diethylamino)propylamino]-6-methyl-pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C19H27Cl2N7
MOLECULAR WEIGHT: 424.37058
SMILES: CCN(CC)C(C)CNC1=NC(=NC(=C1)C)/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl
CAS RN: 5173-65-9
CAS Name: 1-(3,4-dichlorophenyl)-2-[4-[1-(dimethylamino)propan-2-ylamino]-6-methyl-2-pyrimidinyl]guanidine
OPENEYE Name: 1-(3,4-dichlorophenyl)-2-[4-[[2-(dimethylamino)-1-methyl-ethyl]amino]-6-methyl-pyrimidin-2-yl]guanidine
IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrimidin-2-yl]guanidine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-[4-[1-(dimethylamino)propan-2-ylamino]-6-methyl-pyrimidin-2-yl]guanidine
MOLECULAR FORMULA: C17H23Cl2N7
MOLECULAR WEIGHT: 396.31742
SMILES: CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2)Cl)Cl)NC(C)CN(C)C
CAS RN: 24171-89-9
CAS Name: N-[(Z)-8aH-phthalazin-1-ylideneamino]-8aH-phthalazin-1-imine
OPENEYE Name: N-[(Z)-8aH-phthalazin-1-ylideneamino]-8aH-phthalazin-1-imine
IUPAC Name: N-[(Z)-8aH-phthalazin-1-ylideneamino]-8aH-phthalazin-1-imine
SYSTEMATIC NAME: N-[(Z)-8aH-phthalazin-1-ylideneamino]-8aH-phthalazin-1-imine
MOLECULAR FORMULA: C16H12N6
MOLECULAR WEIGHT: 288.30668
SMILES: C1=CC\2C(=CN=N/C2=N/N=C\3/C4C=CC=CC4=CN=N3)C=C1
CAS RN: 60313-17-9
CAS Name: N-[(E)-(2,2-dimethyl-1-phenylpropylidene)amino]-2,4-dinitroaniline
OPENEYE Name: N-[(E)-(2,2-dimethyl-1-phenyl-propylidene)amino]-2,4-dinitro-aniline
IUPAC Name: N-[(E)-(2,2-dimethyl-1-phenylpropylidene)amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(E)-(2,2-dimethyl-1-phenyl-propylidene)amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C17H18N4O4
MOLECULAR WEIGHT: 342.34922
SMILES: CC(C)(C)/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2
CAS RN: 77504-36-0
CAS Name: 2-[5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)amino]-2,4-dinitroanilino]butanedioic acid
OPENEYE Name: 2-[5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)amino]-2,4-dinitro-anilino]butanedioic acid
IUPAC Name: 2-[5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,4-dinitroanilino]butanedioic acid
SYSTEMATIC NAME: 2-[[5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)amino]-2,4-dinitro-phenyl]amino]butanedioic acid
MOLECULAR FORMULA: C19H26N5O9
MOLECULAR WEIGHT: 468.43784
SMILES: CC1(CC(CC(N1[O])(C)C)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC(CC(=O)O)C(=O)O)C
CAS RN: 5417-26-5
CAS Name: 2-[(2E)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]acetate
OPENEYE Name: 2-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]acetate
IUPAC Name: 2-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: 2-[(2E)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C21H18N2O2S
MOLECULAR WEIGHT: 362.44482
SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/3\N(C4=CC=CC=C4S3)CC(=O)[O-]
CAS RN: 92964-95-9
CAS Name: N-(3,4-dichlorophenyl)carbamic acid [(E)-(2,6-dichloro-3-nitrophenyl)methylideneamino] ester
OPENEYE Name: [(E)-(2,6-dichloro-3-nitro-phenyl)methyleneamino] N-(3,4-dichlorophenyl)carbamate
IUPAC Name: [(E)-(2,6-dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: [(E)-[2,6-bis(chloranyl)-3-nitro-phenyl]methylideneamino] N-(3,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C14H7Cl4N3O4
MOLECULAR WEIGHT: 423.03508
SMILES: C1=CC(=C(C=C1NC(=O)O/N=C/C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)Cl)Cl
CAS RN: 21315-99-1
CAS Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]
OPENEYE Name: 17-(1,5-dimethylhexyl)-3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]
IUPAC Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]
SYSTEMATIC NAME: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]
MOLECULAR FORMULA: C31H54NO2
MOLECULAR WEIGHT: 472.76596
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)N(C(CO5)(C)C)[O])C)C
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