CAS RN: 126661-39-0
CAS Name: (1-hexyl-3-piperidinyl)-[4-[(1-hexyl-3-piperidinyl)-oxomethyl]-1-piperazinyl]methanone dihydroiodide
OPENEYE Name: [4-(1-hexylpiperidine-3-carbonyl)piperazin-1-yl]-(1-hexyl-3-piperidyl)methanone dihydroiodide
IUPAC Name: [4-(1-hexylpiperidine-3-carbonyl)piperazin-1-yl]-(1-hexylpiperidin-3-yl)methanone dihydroiodide
SYSTEMATIC NAME: (1-hexylpiperidin-3-yl)-[4-(1-hexylpiperidin-3-yl)carbonylpiperazin-1-yl]methanone dihydroiodide
MOLECULAR FORMULA: C28H54I2N4O2
MOLECULAR WEIGHT: 732.5629
SMILES: CCCCCCN1CCCC(C1)C(=O)N2CCN(CC2)C(=O)C3CCCN(C3)CCCCCC.I.I
Structure:
CAS RN: 126650-81-5
CAS Name: 7-[2-hydroxypropyl(methyl)amino]-3-(4-methoxyphenyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
OPENEYE Name: 7-[2-hydroxypropyl(methyl)amino]-3-(4-methoxyphenyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
IUPAC Name: 7-[2-hydroxypropyl(methyl)amino]-3-(4-methoxyphenyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-7-[methyl(2-oxidanylpropyl)amino]-[1,2,4]triazino[3,4-a]phthalazin-4-one
MOLECULAR FORMULA: C21H21N5O3
MOLECULAR WEIGHT: 391.42314
SMILES: CC(CN(C)C1=NN2C(=NN=C(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C41)O
Structure:
CAS RN: 126650-80-4
CAS Name: 3-(4-methoxyphenyl)-7-(1-pyrrolidinyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
OPENEYE Name: 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
IUPAC Name: 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
MOLECULAR FORMULA: C21H19N5O2
MOLECULAR WEIGHT: 373.40786
SMILES: COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NN3C2=O)N5CCCC5
Structure:
CAS RN: 126650-79-1
CAS Name: 3-methyl-7-(1-pyrrolidinyl)-[1,2,4]triazino[3,4-a]phthalazin-4-one
OPENEYE Name: 3-methyl-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
IUPAC Name: 3-methyl-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
SYSTEMATIC NAME: 3-methyl-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: CC1=NN=C2C3=CC=CC=C3C(=NN2C1=O)N4CCCC4
Structure:
CAS RN: 126650-73-5
CAS Name: 3-phenyl-7-(1-pyrrolidinyl)-4H-[1,2,4]triazino[3,4-a]phthalazine
OPENEYE Name: 3-phenyl-7-pyrrolidin-1-yl-4H-[1,2,4]triazino[3,4-a]phthalazine
IUPAC Name: 3-phenyl-7-pyrrolidin-1-yl-4H-[1,2,4]triazino[3,4-a]phthalazine
SYSTEMATIC NAME: 3-phenyl-7-pyrrolidin-1-yl-4H-[1,2,4]triazino[3,4-a]phthalazine
MOLECULAR FORMULA: C20H19N5
MOLECULAR WEIGHT: 329.39836
SMILES: C1CCN(C1)C2=NN3CC(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
Structure:
CAS RN: 126650-72-4
CAS Name: 1-[[3-(4-methoxyphenyl)-4H-[1,2,4]triazino[3,4-a]phthalazin-7-yl]-methylamino]-2-propanol
OPENEYE Name: 1-[[3-(4-methoxyphenyl)-4H-[1,2,4]triazino[3,4-a]phthalazin-7-yl]-methyl-amino]propan-2-ol
IUPAC Name: 1-[[3-(4-methoxyphenyl)-4H-[1,2,4]triazino[3,4-a]phthalazin-7-yl]-methylamino]propan-2-ol
SYSTEMATIC NAME: 1-[[3-(4-methoxyphenyl)-4H-[1,2,4]triazino[3,4-a]phthalazin-7-yl]-methyl-amino]propan-2-ol
MOLECULAR FORMULA: C21H23N5O2
MOLECULAR WEIGHT: 377.43962
SMILES: CC(CN(C)C1=NN2CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 126650-71-3
CAS Name: 7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
OPENEYE Name: 7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
IUPAC Name: 7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
SYSTEMATIC NAME: 7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
MOLECULAR FORMULA: C18H16N4O
MOLECULAR WEIGHT: 304.34584
SMILES: CCOC1=NN2CC(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 126647-18-5
CAS Name: (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-oxoethyl]-2-pyrrolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethyleneamino)-2-oxo-ethyl]pyrrolidin-2-ylidene]acetate
IUPAC Name: ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-oxoethyl]pyrrolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-oxidanylidene-ethyl]pyrrolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C14H20N4O3
MOLECULAR WEIGHT: 292.3336
SMILES: CCOC(=O)/C(=C/1\CCCN1CC(=O)N=CN(C)C)/C#N
Structure:
CAS RN: 126647-14-1
CAS Name: N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidene-1-pyrrolidinyl)ethanethioamide
OPENEYE Name: N-[1-(dimethylamino)ethylidene]-2-(2-thioxopyrrolidin-1-yl)thioacetamide
IUPAC Name: N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
SYSTEMATIC NAME: N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
MOLECULAR FORMULA: C10H17N3S2
MOLECULAR WEIGHT: 243.39208
SMILES: CC(=NC(=S)CN1CCCC1=S)N(C)C
Structure:
CAS RN: 126606-39-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H41N5O9P2
MOLECULAR WEIGHT: 629.579362
SMILES: CCN(C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C)C(=O)NCCCN(C)C.OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 126598-53-6
CAS Name: 10-[2-(4-oxido-4-morpholin-4-iumyl)ethyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
OPENEYE Name: 10-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
IUPAC Name: 10-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
SYSTEMATIC NAME: 10-[2-(4-oxidanidylmorpholin-4-ium-4-yl)ethyl]-5,5-bis(oxidanylidene)-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
MOLECULAR FORMULA: C16H18N4O5S
MOLECULAR WEIGHT: 378.40292
SMILES: C1COCC[N+]1(CCN2C3=CC=CC=C3S(=O)(=O)C4=C2C(=O)NN=C4)[O-]
Structure:
CAS RN: 126598-52-5
CAS Name: N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
OPENEYE Name: N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
IUPAC Name: N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
SYSTEMATIC NAME: N,N-diethyl-2-[1,5,5-tris(oxidanylidene)-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl]ethanamine oxide
MOLECULAR FORMULA: C16H20N4O4S
MOLECULAR WEIGHT: 364.4194
SMILES: CC[N+](CC)(CCN1C2=CC=CC=C2S(=O)(=O)C3=C1C(=O)NN=C3)[O-]
Structure:
CAS RN: 126598-51-4
CAS Name: N,N-dimethyl-3-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)-1-propanamine oxide
OPENEYE Name: N,N-dimethyl-3-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)propan-1-amine oxide
IUPAC Name: N,N-dimethyl-3-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)propan-1-amine oxide
SYSTEMATIC NAME: N,N-dimethyl-3-[1,5,5-tris(oxidanylidene)-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl]propan-1-amine oxide
MOLECULAR FORMULA: C15H18N4O4S
MOLECULAR WEIGHT: 350.39282
SMILES: C[N+](C)(CCCN1C2=CC=CC=C2S(=O)(=O)C3=C1C(=O)NN=C3)[O-]
Structure:
CAS RN: 126598-50-3
CAS Name: 10-[2-[hydroxy(methyl)amino]propyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
OPENEYE Name: 10-[2-[hydroxy(methyl)amino]propyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
IUPAC Name: 10-[2-[hydroxy(methyl)amino]propyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
SYSTEMATIC NAME: 10-[2-[methyl(oxidanyl)amino]propyl]-5,5-bis(oxidanylidene)-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
MOLECULAR FORMULA: C14H16N4O4S
MOLECULAR WEIGHT: 336.36624
SMILES: CC(CN1C2=CC=CC=C2S(=O)(=O)C3=C1C(=O)NN=C3)N(C)O
Structure:
CAS RN: 126598-40-1
CAS Name: 10-methyl-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
OPENEYE Name: 10-methyl-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
IUPAC Name: 10-methyl-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
SYSTEMATIC NAME: 10-methyl-5,5-bis(oxidanylidene)-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one
MOLECULAR FORMULA: C11H9N3O3S
MOLECULAR WEIGHT: 263.27246
SMILES: CN1C2=CC=CC=C2S(=O)(=O)C3=C1C(=O)NN=C3
Structure:
CAS RN: 126598-35-4
CAS Name: 3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
MOLECULAR FORMULA: C12H8N4O4S
MOLECULAR WEIGHT: 304.28132
SMILES: C1C(=NN2C(=NN=C2S1)C3=CC4=C(C=C3)OCO4)C(=O)O
Structure:
CAS RN: 126598-34-3
CAS Name: 3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
OPENEYE Name: 3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
IUPAC Name: 3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
SYSTEMATIC NAME: 3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
MOLECULAR FORMULA: C15H16N4O5S
MOLECULAR WEIGHT: 364.37634
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(CS3)C(=O)O)OC
Structure:
CAS RN: 126598-33-2
CAS Name: 3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
OPENEYE Name: 3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
IUPAC Name: 3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
SYSTEMATIC NAME: 3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
MOLECULAR FORMULA: C14H14N4O5S
MOLECULAR WEIGHT: 350.34976
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(CS3)C(=O)O
Structure:
CAS RN: 126598-32-1
CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]ethanoic acid
MOLECULAR FORMULA: C13H10N4O4S
MOLECULAR WEIGHT: 318.3079
SMILES: C1C(=NN2C(=NN=C2S1)C3=CC4=C(C=C3)OCO4)CC(=O)O
Structure:
CAS RN: 126598-31-0
CAS Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
OPENEYE Name: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
IUPAC Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]ethanoic acid
MOLECULAR FORMULA: C16H18N4O5S
MOLECULAR WEIGHT: 378.40292
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(CS3)CC(=O)O)OC
Structure:
CAS RN: 126598-30-9
CAS Name: 2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
OPENEYE Name: 2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
IUPAC Name: 2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]ethanoic acid
MOLECULAR FORMULA: C15H16N4O5S
MOLECULAR WEIGHT: 364.37634
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(CS3)CC(=O)O
Structure:
CAS RN: 126598-26-3
CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C19H13BrN4O4S
MOLECULAR WEIGHT: 473.29992
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=C(C=C5)Br
Structure:
CAS RN: 126598-25-2
CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C19H13ClN4O4S
MOLECULAR WEIGHT: 428.84892
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=C(C=C5)Cl
Structure:
CAS RN: 126598-24-1
CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C19H13FN4O4S
MOLECULAR WEIGHT: 412.394323
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=C(C=C5)F
Structure:
CAS RN: 126598-23-0
CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C19H14N4O4S
MOLECULAR WEIGHT: 394.40386
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=CC=C5
Structure:
CAS RN: 126598-20-7
CAS Name: 2-[6-(4-bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-(4-bromophenyl)-3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-(4-bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(4-bromophenyl)-3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C22H21BrN4O5S
MOLECULAR WEIGHT: 533.39494
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Br)OC
Structure:
CAS RN: 126598-19-4
CAS Name: 2-[6-(4-chlorophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-(4-chlorophenyl)-3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-(4-chlorophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(4-chlorophenyl)-3-(4-ethoxy-3,5-dimethoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C22H21ClN4O5S
MOLECULAR WEIGHT: 488.94394
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Cl)OC
Structure:
CAS RN: 126598-18-3
CAS Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C22H21FN4O5S
MOLECULAR WEIGHT: 472.489343
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)F)OC
Structure:
CAS RN: 126598-17-2
CAS Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(4-ethoxy-3,5-dimethoxy-phenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C22H22N4O5S
MOLECULAR WEIGHT: 454.49888
SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=CC=C4)OC
Structure:
CAS RN: 126598-13-8
CAS Name: 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C21H19BrN4O5S
MOLECULAR WEIGHT: 519.36836
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 126598-12-7
CAS Name: 2-[6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C21H19ClN4O5S
MOLECULAR WEIGHT: 474.91736
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 126598-11-6
CAS Name: 2-[6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C21H19FN4O5S
MOLECULAR WEIGHT: 458.462763
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)F
Structure:
CAS RN: 126598-10-5
CAS Name: 2-[6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
OPENEYE Name: 2-[6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
IUPAC Name: 2-[6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
SYSTEMATIC NAME: 2-[6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ethanoic acid
MOLECULAR FORMULA: C21H20N4O5S
MOLECULAR WEIGHT: 440.4723
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=CC=C4
Structure:
CAS RN: 126596-47-2
CAS Name: 3-(4-morpholinyl)-1H-indazol-5-amine dihydrochloride
OPENEYE Name: 3-morpholino-1H-indazol-5-amine dihydrochloride
IUPAC Name: 3-morpholin-4-yl-1H-indazol-5-amine dihydrochloride
SYSTEMATIC NAME: 3-morpholin-4-yl-1H-indazol-5-amine dihydrochloride
MOLECULAR FORMULA: C11H16Cl2N4O
MOLECULAR WEIGHT: 291.17694
SMILES: C1COCCN1C2=NNC3=C2C=C(C=C3)N.Cl.Cl
Structure:
CAS RN: 126596-45-0
CAS Name: 3,7-dimethyl-4-oxo-2-(prop-2-enylthio)-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-allylsulfanyl-3,7-dimethyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 3,7-dimethyl-4-oxo-2-prop-2-enylsulfanylpyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 3,7-dimethyl-4-oxidanylidene-2-prop-2-enylsulfanyl-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H17N3O3S
MOLECULAR WEIGHT: 319.37878
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCC=C)C)C
Structure:
CAS RN: 126596-43-8
CAS Name: 7-methyl-4-oxo-3-phenyl-2-(prop-2-enylthio)-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-allylsulfanyl-7-methyl-4-oxo-3-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 7-methyl-4-oxo-3-phenyl-2-prop-2-enylsulfanylpyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-4-oxidanylidene-3-phenyl-2-prop-2-enylsulfanyl-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H19N3O3S
MOLECULAR WEIGHT: 381.44816
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCC=C)C3=CC=CC=C3)C
Structure:
CAS RN: 126581-59-7
CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-(4-morpholinyl)ethanone hydrochloride
OPENEYE Name: 1-(3-fluoro-4-methoxy-phenyl)-2-morpholino-ethanone hydrochloride
IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone hydrochloride
SYSTEMATIC NAME: 1-(3-fluoranyl-4-methoxy-phenyl)-2-morpholin-4-yl-ethanone hydrochloride
MOLECULAR FORMULA: C13H17ClFNO3
MOLECULAR WEIGHT: 289.730383
SMILES: COC1=C(C=C(C=C1)C(=O)CN2CCOCC2)F.Cl
Structure:
CAS RN: 126568-06-7
CAS Name: 7-chloro-1-[3-(4-methyl-1-piperazinyl)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
OPENEYE Name: 7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
IUPAC Name: 7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-(4-methylpiperazin-1-yl)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C23H27ClN4O
MOLECULAR WEIGHT: 410.93968
SMILES: CN1CCN(CC1)CCCN2C(=O)CC(=NC3=C2C=CC(=C3)Cl)C4=CC=CC=C4
Structure:
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