CAS RN: 156436-90-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H72LuN5O14
MOLECULAR WEIGHT: 1166.12018
SMILES: CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Lu+3]
Structure:
CAS RN: 120685-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H30N4O4
MOLECULAR WEIGHT: 570.6371
SMILES: C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
Structure:
CAS RN: 6600-94-8
CAS Name: 6-amino-4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride
OPENEYE Name: 6-amino-4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol hydrochloride
IUPAC Name: 6-amino-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
SYSTEMATIC NAME: 6-azanyl-4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C8H13ClN2O3
MOLECULAR WEIGHT: 220.65342
SMILES: CC1=C(C(=C(C(=N1)N)CO)CO)O.Cl
Structure:
CAS RN: 6600-92-6
CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-6-[(4-methylphenyl)hydrazinylidene]-3-pyridinone hydrochloride
OPENEYE Name: 4,5-bis(hydroxymethyl)-2-methyl-6-(p-tolylhydrazono)pyridin-3-one hydrochloride
IUPAC Name: 4,5-bis(hydroxymethyl)-2-methyl-6-[(4-methylphenyl)hydrazinylidene]pyridin-3-one hydrochloride
SYSTEMATIC NAME: 4,5-bis(hydroxymethyl)-2-methyl-6-[(4-methylphenyl)hydrazinylidene]pyridin-3-one hydrochloride
MOLECULAR FORMULA: C15H18ClN3O3
MOLECULAR WEIGHT: 323.77472
SMILES: CC1=CC=C(C=C1)NN=C2C(=C(C(=O)C(=N2)C)CO)CO.Cl
Structure:
CAS RN: 6600-90-4
CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-6-(phenylhydrazinylidene)-3-pyridinone hydrochloride
OPENEYE Name: 4,5-bis(hydroxymethyl)-2-methyl-6-(phenylhydrazono)pyridin-3-one hydrochloride
IUPAC Name: 4,5-bis(hydroxymethyl)-2-methyl-6-(phenylhydrazinylidene)pyridin-3-one hydrochloride
SYSTEMATIC NAME: 4,5-bis(hydroxymethyl)-2-methyl-6-(phenylhydrazinylidene)pyridin-3-one hydrochloride
MOLECULAR FORMULA: C14H16ClN3O3
MOLECULAR WEIGHT: 309.74814
SMILES: CC1=NC(=NNC2=CC=CC=C2)C(=C(C1=O)CO)CO.Cl
Structure:
CAS RN: 75333-08-3
CAS Name: 1-(4-phenylphenyl)ethylhydrazine hydrochloride
OPENEYE Name: 1-(4-phenylphenyl)ethylhydrazine hydrochloride
IUPAC Name: 1-(4-phenylphenyl)ethylhydrazine hydrochloride
SYSTEMATIC NAME: 1-(4-phenylphenyl)ethyldiazane hydrochloride
MOLECULAR FORMULA: C14H17ClN2
MOLECULAR WEIGHT: 248.75118
SMILES: CC(C1=CC=C(C=C1)C2=CC=CC=C2)NN.Cl
Structure:
CAS RN: 64253-21-0
CAS Name: N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline hydrochloride
MOLECULAR FORMULA: C14H23Cl3N2
MOLECULAR WEIGHT: 325.70482
SMILES: CN(C)CCC1=CC=C(C=C1)N(CCCl)CCCl.Cl
Structure:
CAS RN: 4905-70-8
CAS Name: carbamimidothioic acid (2,4-dioxo-1H-pyrimidin-5-yl)methyl ester chloride
OPENEYE Name: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]isothiourea chloride
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamimidothioate chloride
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl carbamimidothioate chloride
MOLECULAR FORMULA: C6H8ClN4O2S-
MOLECULAR WEIGHT: 235.67132
SMILES: C1=C(C(=O)NC(=O)N1)CSC(=N)N.[Cl-]
Structure:
CAS RN: 15717-25-6
CAS Name: 3-(1-oxoprop-2-enoxy)-1-propanesulfonic acid; sodium
OPENEYE Name: 3-prop-2-enoyloxypropane-1-sulfonic acid; sodium
IUPAC Name: 3-prop-2-enoyloxypropane-1-sulfonic acid; sodium
SYSTEMATIC NAME: 3-prop-2-enoyloxypropane-1-sulfonic acid; sodium
MOLECULAR FORMULA: C6H10NaO5S
MOLECULAR WEIGHT: 217.19537
SMILES: C=CC(=O)OCCCS(=O)(=O)O.[Na]
Structure:
CAS RN: 13110-80-0
CAS Name: 2,7-diacetamido-9H-fluorene-3-sulfonic acid; sodium
OPENEYE Name: 2,7-diacetamido-9H-fluorene-3-sulfonic acid; sodium
IUPAC Name: 2,7-diacetamido-9H-fluorene-3-sulfonic acid; sodium
SYSTEMATIC NAME: 2,7-diacetamido-9H-fluorene-3-sulfonic acid; sodium
MOLECULAR FORMULA: C17H16N2NaO5S
MOLECULAR WEIGHT: 383.37411
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=CC(=C(C=C3C2)NC(=O)C)S(=O)(=O)O.[Na]
Structure:
CAS RN: 13110-79-7
CAS Name: 7-acetamido-9H-fluorene-2-sulfonic acid; sodium
OPENEYE Name: 7-acetamido-9H-fluorene-2-sulfonic acid; sodium
IUPAC Name: 7-acetamido-9H-fluorene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 7-acetamido-9H-fluorene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C15H13NNaO4S
MOLECULAR WEIGHT: 326.32279
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)S(=O)(=O)O.[Na]
Structure:
CAS RN: 93996-25-9
CAS Name: acetic acid [2-[[4-(dimethylamino)phenyl]iminomethyl]-4,5-bis(hydroxymethyl)-1-oxido-3-pyridin-1-iumyl] ester
OPENEYE Name: [2-[[4-(dimethylamino)phenyl]iminomethyl]-4,5-bis(hydroxymethyl)-1-oxido-pyridin-1-ium-3-yl] acetate
IUPAC Name: [2-[[4-(dimethylamino)phenyl]iminomethyl]-4,5-bis(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl] acetate
SYSTEMATIC NAME: [2-[[4-(dimethylamino)phenyl]iminomethyl]-4,5-bis(hydroxymethyl)-1-oxidanidyl-pyridin-1-ium-3-yl] ethanoate
MOLECULAR FORMULA: C18H21N3O5
MOLECULAR WEIGHT: 359.37644
SMILES: CC(=O)OC1=C(C(=C[N+](=C1C=NC2=CC=C(C=C2)N(C)C)[O-])CO)CO
Structure:
CAS RN: 3389-34-2
CAS Name: carbamimidothioic acid 7H-purin-6-ylmethyl ester bromide
OPENEYE Name: 2-(7H-purin-6-ylmethyl)isothiourea bromide
IUPAC Name: 7H-purin-6-ylmethyl carbamimidothioate bromide
SYSTEMATIC NAME: 7H-purin-6-ylmethyl carbamimidothioate bromide
MOLECULAR FORMULA: C7H8BrN6S-
MOLECULAR WEIGHT: 288.14762
SMILES: C1=NC2=NC=NC(=C2N1)CSC(=N)N.[Br-]
Structure:
CAS RN: 20653-43-4
CAS Name: 1-(4-cyclohexylcyclohexyl)piperidine hydrochloride
OPENEYE Name: 1-(4-cyclohexylcyclohexyl)piperidine hydrochloride
IUPAC Name: 1-(4-cyclohexylcyclohexyl)piperidine hydrochloride
SYSTEMATIC NAME: 1-(4-cyclohexylcyclohexyl)piperidine hydrochloride
MOLECULAR FORMULA: C17H32ClN
MOLECULAR WEIGHT: 285.89568
SMILES: C1CCC(CC1)C2CCC(CC2)N3CCCCC3.Cl
Structure:
CAS RN: 92203-75-3
CAS Name: (2E)-2-[(hydroxyamino)methylidene]-4,5-bis(hydroxymethyl)-3-pyridinone hydrochloride
OPENEYE Name: (2E)-2-[(hydroxyamino)methylene]-4,5-bis(hydroxymethyl)pyridin-3-one hydrochloride
IUPAC Name: (2E)-2-[(hydroxyamino)methylidene]-4,5-bis(hydroxymethyl)pyridin-3-one hydrochloride
SYSTEMATIC NAME: (2E)-4,5-bis(hydroxymethyl)-2-[(oxidanylamino)methylidene]pyridin-3-one hydrochloride
MOLECULAR FORMULA: C8H11ClN2O4
MOLECULAR WEIGHT: 234.63694
SMILES: C1=N/C(=C/NO)/C(=O)C(=C1CO)CO.Cl
Structure:
CAS RN: 3112-60-5
CAS Name: 2-[2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxylic acid; sodium
OPENEYE Name: 2-[2-(5-nitro-2-furyl)vinyl]quinoline-4-carboxylic acid; sodium
IUPAC Name: 2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylic acid; sodium
SYSTEMATIC NAME: 2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylic acid; sodium
MOLECULAR FORMULA: C16H10N2NaO5
MOLECULAR WEIGHT: 333.25077
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O.[Na]
Structure:
CAS RN: 5388-37-4
CAS Name: 2-(3-cyclohexyl-3-methyl-5-oxazolidin-3-iumyl)acetonitrile chloride
OPENEYE Name: 2-(3-cyclohexyl-3-methyl-oxazolidin-3-ium-5-yl)acetonitrile chloride
IUPAC Name: 2-(3-cyclohexyl-3-methyl-1,3-oxazolidin-3-ium-5-yl)acetonitrile chloride
SYSTEMATIC NAME: 2-(3-cyclohexyl-3-methyl-1,3-oxazolidin-3-ium-5-yl)ethanenitrile chloride
MOLECULAR FORMULA: C12H21ClN2O
MOLECULAR WEIGHT: 244.76094
SMILES: C[N+]1(CC(OC1)CC#N)C2CCCCC2.[Cl-]
Structure:
CAS RN: 4991-68-8
CAS Name: N,N-dimethyl-2-[4-(phenylmethyl)-1-piperidinyl]ethanamine hydrochloride
OPENEYE Name: 2-(4-benzyl-1-piperidyl)-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]ethanamine hydrochloride
MOLECULAR FORMULA: C16H27ClN2
MOLECULAR WEIGHT: 282.85198
SMILES: CN(C)CCN1CCC(CC1)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 25622-15-5
CAS Name: 3,5,7-trimethyl-1,1-dioxo-4H-pyrimido[4,5-e][1,2,4]thiadiazine-6,8-dione
OPENEYE Name: 3,5,7-trimethyl-1,1-dioxo-4H-pyrimido[4,5-e][1,2,4]thiadiazine-6,8-dione
IUPAC Name: 3,5,7-trimethyl-1,1-dioxo-4H-pyrimido[4,5-e][1,2,4]thiadiazine-6,8-dione
SYSTEMATIC NAME: 3,5,7-trimethyl-1,1-bis(oxidanylidene)-4H-pyrimido[4,5-e][1,2,4]thiadiazine-6,8-dione
MOLECULAR FORMULA: C8H10N4O4S
MOLECULAR WEIGHT: 258.2544
SMILES: CC1=NS(=O)(=O)C2=C(N1)N(C(=O)N(C2=O)C)C
Structure:
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