CAS RN: 40400-44-0
CAS Name: 2-[[(4R,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-[[(4R,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-[[(4R,5R)-8-chloro-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[[(4R,5R)-8-chloranyl-4-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]oxy]-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C20H25Cl2NO2
MOLECULAR WEIGHT: 382.324
SMILES: CN(C)CCO[C@@H]1[C@H](CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl
Structure:
CAS RN: 40380-25-4
CAS Name: 5-(hydroxymethyl)-7,9-dimethyl-1-(phenylmethyl)-2,3,4-trithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
OPENEYE Name: 1-benzyl-5-(hydroxymethyl)-7,9-dimethyl-2,3,4-trithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
IUPAC Name: 1-benzyl-5-(hydroxymethyl)-7,9-dimethyl-2,3,4-trithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
SYSTEMATIC NAME: 5-(hydroxymethyl)-7,9-dimethyl-1-(phenylmethyl)-2,3,4-trithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
MOLECULAR FORMULA: C14H16N2O3S3
MOLECULAR WEIGHT: 356.48344
SMILES: CN1C(=O)C2(N(C(=O)C1(SSS2)CC3=CC=CC=C3)C)CO
Structure:
CAS RN: 40290-20-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H46N8O8S
MOLECULAR WEIGHT: 726.84284
SMILES: CCCC1C(=O)NC(C(=O)NC(C(=O)NC2CSC3=C(CC(C(=O)N1)NC(=O)C(NC(=O)C4CCCN4C2=O)C)C5=CC=CC=C5N3)C(C)O)C
Structure:
CAS RN: 40187-51-7
CAS Name: 5-acetyl-2-hydroxybenzamide
OPENEYE Name: 5-acetyl-2-hydroxy-benzamide
IUPAC Name: 5-acetyl-2-hydroxybenzamide
SYSTEMATIC NAME: 5-ethanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)N
Structure:
CAS RN: 40158-24-5
CAS Name: 7-[[2-[(1-amino-2-phenylethylidene)amino]-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: 7-[[2-[(1-amino-2-phenyl-ethylidene)amino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: 7-[[2-[(1-amino-2-phenylethylidene)amino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[2-[(1-azanyl-2-phenyl-ethylidene)amino]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C21H22N6O4S3
MOLECULAR WEIGHT: 518.63218
SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN=C(CC4=CC=CC=C4)N)SC2)C(=O)O
Structure:
CAS RN: 40147-95-3
CAS Name: cyclohexanamine; [(2S)-3-fluoro-2-hydroxypropyl] dihydrogen phosphate
OPENEYE Name: cyclohexanamine; [(2S)-3-fluoro-2-hydroxy-propyl] dihydrogen phosphate
IUPAC Name: cyclohexanamine; [(2S)-3-fluoro-2-hydroxypropyl] dihydrogen phosphate
SYSTEMATIC NAME: cyclohexanamine; [(2S)-3-fluoranyl-2-oxidanyl-propyl] dihydrogen phosphate
MOLECULAR FORMULA: C15H34FN2O5P
MOLECULAR WEIGHT: 372.413024
SMILES: C1CCC(CC1)N.C1CCC(CC1)N.C([C@@H](CF)O)OP(=O)(O)O
Structure:
CAS RN: 40141-02-4
CAS Name: 1,1-dimethylhydrazine; oxalic acid
OPENEYE Name: 1,1-dimethylhydrazine; oxalic acid
IUPAC Name: 1,1-dimethylhydrazine; oxalic acid
SYSTEMATIC NAME: 1,1-dimethyldiazane; ethanedioic acid
MOLECULAR FORMULA: C4H10N2O4
MOLECULAR WEIGHT: 150.1332
SMILES: CN(C)N.C(=O)(C(=O)O)O
Structure:
CAS RN: 39900-95-3
CAS Name: 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
OPENEYE Name: 2-[[4-(dimethylamino)phenyl]methyleneamino]benzoic acid
IUPAC Name: 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 39638-73-8
CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-hydroxy-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-hydroxy-pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-oxidanyl-pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)O
Structure:
CAS RN: 39568-89-3
CAS Name: [2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol
OPENEYE Name: [2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol
IUPAC Name: [2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol
SYSTEMATIC NAME: [2,3,4,6-tetrakis(chloranyl)-5-(hydroxymethyl)phenyl]methanol
MOLECULAR FORMULA: C8H6Cl4O2
MOLECULAR WEIGHT: 275.94404
SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CO)Cl)O
Structure:
CAS RN: 38697-36-8
CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)benzoic acid
OPENEYE Name: 2-(2-methylprop-2-enoyloxy)benzoic acid
IUPAC Name: 2-(2-methylprop-2-enoyloxy)benzoic acid
SYSTEMATIC NAME: 2-(2-methylprop-2-enoyloxy)benzoic acid
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: CC(=C)C(=O)OC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 39276-30-7
CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)benzoic acid
OPENEYE Name: 2-(2-methylprop-2-enoyloxy)benzoic acid
IUPAC Name: 2-(2-methylprop-2-enoyloxy)benzoic acid
SYSTEMATIC NAME: 2-(2-methylprop-2-enoyloxy)benzoic acid
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: CC(=C)C(=O)OC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 39147-43-8
CAS Name: 11-benzo[b]triphenylenol
OPENEYE Name: benzo[b]triphenylen-11-ol
IUPAC Name: benzo[b]triphenylen-11-ol
SYSTEMATIC NAME: benzo[b]triphenylen-11-ol
MOLECULAR FORMULA: C22H14O
MOLECULAR WEIGHT: 294.34596
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=C5C=CC(=CC5=C4)O
Structure:
CAS RN: 39118-50-8
CAS Name: acetic acid 2-dimethoxyphosphorylethyl ester
OPENEYE Name: 2-dimethoxyphosphorylethyl acetate
IUPAC Name: 2-dimethoxyphosphorylethyl acetate
SYSTEMATIC NAME: 2-dimethoxyphosphorylethyl ethanoate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: CC(=O)OCCP(=O)(OC)OC
Structure:
CAS RN: 39081-15-7
CAS Name: 10-benzo[b]triphenylenol
OPENEYE Name: benzo[b]triphenylen-10-ol
IUPAC Name: benzo[b]triphenylen-10-ol
SYSTEMATIC NAME: benzo[b]triphenylen-10-ol
MOLECULAR FORMULA: C22H14O
MOLECULAR WEIGHT: 294.34596
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=C5C=CC=C(C5=C4)O
Structure:
CAS RN: 38915-58-1
CAS Name: N'-(7-benzo[b][1,10]phenanthrolinyl)-N-(2-chloroethyl)propane-1,3-diamine dihydrochloride
OPENEYE Name: N'-benzo[b][1,10]phenanthrolin-7-yl-N-(2-chloroethyl)propane-1,3-diamine dihydrochloride
IUPAC Name: N'-benzo[b][1,10]phenanthrolin-7-yl-N-(2-chloroethyl)propane-1,3-diamine dihydrochloride
SYSTEMATIC NAME: N'-benzo[b][1,10]phenanthrolin-7-yl-N-(2-chloroethyl)propane-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C21H23Cl3N4
MOLECULAR WEIGHT: 437.79312
SMILES: C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)N=CC=C4)NCCCNCCCl.Cl.Cl
Structure:
CAS RN: 38869-91-9
CAS Name: pentylurea
OPENEYE Name: pentylurea
IUPAC Name: pentylurea
SYSTEMATIC NAME: 1-pentylurea
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: CCCCCNC(=O)N
Structure:
CAS RN: 38588-66-8
CAS Name: 1,2-di(propan-2-yl)guanidine hydrochloride
OPENEYE Name: 1,2-diisopropylguanidine hydrochloride
IUPAC Name: 1,2-di(propan-2-yl)guanidine hydrochloride
SYSTEMATIC NAME: 1,2-di(propan-2-yl)guanidine hydrochloride
MOLECULAR FORMULA: C7H18ClN3
MOLECULAR WEIGHT: 179.69092
SMILES: CC(C)NC(=NC(C)C)N.Cl
Structure:
CAS RN: 38588-65-7
CAS Name: 1,2-di(propan-2-yl)guanidine
OPENEYE Name: 1,2-diisopropylguanidine
IUPAC Name: 1,2-di(propan-2-yl)guanidine
SYSTEMATIC NAME: 1,2-di(propan-2-yl)guanidine
MOLECULAR FORMULA: C7H17N3
MOLECULAR WEIGHT: 143.22998
SMILES: CC(C)NC(=NC(C)C)N
Structure:
CAS RN: 38528-24-4
CAS Name: 1-chloro-4-[ethoxy-(propylthio)phosphoryl]oxybenzene
OPENEYE Name: 1-chloro-4-[ethoxy(propylsulfanyl)phosphoryl]oxy-benzene
IUPAC Name: 1-chloro-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1-chloranyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C11H16ClO3PS
MOLECULAR WEIGHT: 294.734701
SMILES: CCCSP(=O)(OCC)OC1=CC=C(C=C1)Cl
Structure:
CAS RN: 38455-90-2
CAS Name: (1R,2S)-2-(dimethylamino)-1-phenyl-1-propanol hydrochloride
OPENEYE Name: (1R,2S)-2-(dimethylamino)-1-phenyl-propan-1-ol hydrochloride
IUPAC Name: (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: (1R,2S)-2-(dimethylamino)-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C.Cl
Structure:
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