CAS RN: 75968-19-3
CAS Name: N-(2-phenylethenylsulfonylamino)formamide
OPENEYE Name: N-(styrylsulfonylamino)formamide
IUPAC Name: N-(2-phenylethenylsulfonylamino)formamide
SYSTEMATIC NAME: N-(2-phenylethenylsulfonylamino)methanamide
MOLECULAR FORMULA: C9H10N2O3S
MOLECULAR WEIGHT: 226.2523
SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)NNC=O
Structure:
CAS RN: 75968-29-5
CAS Name: 2-(2-phenylethenylsulfonylhydrazinylidene)acetic acid
OPENEYE Name: 2-(styrylsulfonylhydrazono)acetic acid
IUPAC Name: 2-(2-phenylethenylsulfonylhydrazinylidene)acetic acid
SYSTEMATIC NAME: 2-(2-phenylethenylsulfonylhydrazinylidene)ethanoic acid
MOLECULAR FORMULA: C10H10N2O4S
MOLECULAR WEIGHT: 254.2624
SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)NN=CC(=O)O
Structure:
CAS RN: 23316-67-8
CAS Name: benzoic acid (3,4-dibenzoyloxy-5-cyano-2-oxolanyl)methyl ester
OPENEYE Name: (3,4-dibenzoyloxy-5-cyano-tetrahydrofuran-2-yl)methyl benzoate
IUPAC Name: (3,4-dibenzoyloxy-5-cyanooxolan-2-yl)methyl benzoate
SYSTEMATIC NAME: [5-cyano-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C27H21NO7
MOLECULAR WEIGHT: 471.45814
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 69037-94-1
CAS Name: 3-(dodecylthio)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 3-dodecylsulfanyl-5-methoxy-2-methyl-1,4-benzoquinone
IUPAC Name: 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 3-dodecylsulfanyl-5-methoxy-2-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H32O3S
MOLECULAR WEIGHT: 352.53128
SMILES: CCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)OC)C
Structure:
CAS RN: 22743-00-6
CAS Name: 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxotetralin-2-carboxylate
IUPAC Name: ethyl 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-2,3-dihydro-1H-naphthalene-2-carboxylate
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CCOC(=O)C1CC2=CC=CC=C2C(=O)C1
Structure:
CAS RN: 69236-58-4
CAS Name: 4-[[[(4-methyl-2-thiazolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(4-methylthiazol-2-yl)carbamoylamino]benzoate
IUPAC Name: ethyl 4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoate
MOLECULAR FORMULA: C14H15N3O3S
MOLECULAR WEIGHT: 305.3522
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C
Structure:
CAS RN: 69123-49-5
CAS Name: 4-[[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoate
IUPAC Name: ethyl 4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoate
MOLECULAR FORMULA: C12H12N4O3S
MOLECULAR WEIGHT: 292.31368
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2
Structure:
CAS RN: 60354-20-3
CAS Name: 1-[4-(5-chloro-2,1-benzoxazol-3-yl)-3,5-dimethyl-1-pyrazolyl]ethanone
OPENEYE Name: 1-[4-(5-chloro-2,1-benzoxazol-3-yl)-3,5-dimethyl-pyrazol-1-yl]ethanone
IUPAC Name: 1-[4-(5-chloro-2,1-benzoxazol-3-yl)-3,5-dimethylpyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(5-chloranyl-2,1-benzoxazol-3-yl)-3,5-dimethyl-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C14H12ClN3O2
MOLECULAR WEIGHT: 289.71698
SMILES: CC1=C(C(=NN1C(=O)C)C)C2=C3C=C(C=CC3=NO2)Cl
Structure:
CAS RN: 52182-88-4
CAS Name: 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole
OPENEYE Name: 3,5-dimethyl-4-[(2-nitrophenyl)methylene]pyrazole
IUPAC Name: 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: CC1=NN=C(C1=CC2=CC=CC=C2[N+](=O)[O-])C
Structure:
CAS RN: 50471-17-5
CAS Name: 2-(1,2-benzoxazol-3-yl)acetonitrile
OPENEYE Name: 2-(1,2-benzoxazol-3-yl)acetonitrile
IUPAC Name: 2-(1,2-benzoxazol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(1,2-benzoxazol-3-yl)ethanenitrile
MOLECULAR FORMULA: C9H6N2O
MOLECULAR WEIGHT: 158.15674
SMILES: C1=CC=C2C(=C1)C(=NO2)CC#N
Structure:
CAS RN: 23008-68-6
CAS Name: 2-(1,2-benzoxazol-3-yl)acetamide
OPENEYE Name: 2-(1,2-benzoxazol-3-yl)acetamide
IUPAC Name: 2-(1,2-benzoxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-(1,2-benzoxazol-3-yl)ethanamide
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC=C2C(=C1)C(=NO2)CC(=O)N
Structure:
CAS RN: 60543-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20N2O12
MOLECULAR WEIGHT: 456.3576
SMILES: CC(=O)OCC1C(C(C(O1)N2C3C(C4C3OC(=O)O4)C(=O)NC2=O)OC(=O)C)OC(=O)C
Structure:
CAS RN: 59851-15-9
CAS Name: N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamic acid methyl ester
OPENEYE Name: methyl N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamate
IUPAC Name: methyl N-(5-oxo-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamate
SYSTEMATIC NAME: methyl N-(5-oxidanylidene-6,7,8,9-tetrahydro-4H-thieno[3,2-b]azocin-3-yl)carbamate
MOLECULAR FORMULA: C11H14N2O3S
MOLECULAR WEIGHT: 254.30546
SMILES: COC(=O)NC1=CSC2=C1NC(=O)CCCC2
Structure:
CAS RN: 59897-85-7
CAS Name: 1-(4-chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
OPENEYE Name: 1-(4-chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
IUPAC Name: 1-(4-chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
SYSTEMATIC NAME: 1-[2-[[2,6-bis(chloranyl)phenyl]amino]-4,5-dihydroimidazol-1-yl]-3-(4-chlorophenyl)propane-1,3-dione
MOLECULAR FORMULA: C18H14Cl3N3O2
MOLECULAR WEIGHT: 410.68166
SMILES: C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)CC(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 59897-71-1
CAS Name: 8-(2-aminophenyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
OPENEYE Name: 8-(2-aminophenyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
IUPAC Name: 8-(2-aminophenyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 8-(2-aminophenyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C18H16N4O
MOLECULAR WEIGHT: 304.34584
SMILES: C1CN2C(=O)C=C(N(C2=N1)C3=CC=CC=C3N)C4=CC=CC=C4
Structure:
CAS RN: 61799-81-3
CAS Name: 2-(benzenesulfonamido)-4-(1H-benzimidazol-2-yl)butanamide
OPENEYE Name: 2-(benzenesulfonamido)-4-(1H-benzimidazol-2-yl)butanamide
IUPAC Name: 2-(benzenesulfonamido)-4-(1H-benzimidazol-2-yl)butanamide
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-yl)-2-(phenylsulfonylamino)butanamide
MOLECULAR FORMULA: C17H18N4O3S
MOLECULAR WEIGHT: 358.41482
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC(CCC2=NC3=CC=CC=C3N2)C(=O)N
Structure:
CAS RN: 7122-00-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: CC(=O)O[C@@H]1C[C@@H]2C3(CO[C@@H]([C@H]3C1(C)C)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2
Structure:
CAS RN: 82475-66-9
CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]carbamic acid [tert-butyl(dimethyl)silyl] ester
OPENEYE Name: [tert-butyl(dimethyl)silyl] N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate
IUPAC Name: [tert-butyl(dimethyl)silyl] N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate
SYSTEMATIC NAME: [tert-butyl(dimethyl)silyl] N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate
MOLECULAR FORMULA: C17H28Cl2N2O2Si
MOLECULAR WEIGHT: 391.40792
SMILES: CC(C)(C)[Si](C)(C)OC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 70650-82-7
CAS Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-ethoxyaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-ethoxy-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-ethoxyaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phosphoryl]-4-ethoxy-aniline
MOLECULAR FORMULA: C18H18Cl2F5N2O3P
MOLECULAR WEIGHT: 507.218897
SMILES: CCOC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=C(C(=C(C(=C2F)F)F)F)F
Structure:
CAS RN: 65432-28-2
CAS Name: 1-(3-hydroxy-6,9-dimethyl-2-dibenzofuranyl)ethanone
OPENEYE Name: 1-(3-hydroxy-6,9-dimethyl-dibenzofuran-2-yl)ethanone
IUPAC Name: 1-(3-hydroxy-6,9-dimethyldibenzofuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(6,9-dimethyl-3-oxidanyl-dibenzofuran-2-yl)ethanone
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=C2C3=CC(=C(C=C3OC2=C(C=C1)C)O)C(=O)C
Structure:
CAS RN: 6831-10-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1CC2C(CC3(C1C4C(C3O)O4)C)C(=C)C(=O)O2
Structure:
CAS RN: 61140-21-4
CAS Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-oxo-5-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-oxo-pyrido[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 2,4-diamino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 2,4-bis(azanyl)-8-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C13H16N6O6
MOLECULAR WEIGHT: 352.30274
SMILES: C1=C(C2=C(N=C(N=C2N)N)N(C1=O)C3C(C(C(O3)CO)O)O)C(=O)N
Structure:
CAS RN: 61140-07-6
CAS Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-oxo-5-pyrido[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-oxo-pyrido[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-8-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C13H15N5O6
MOLECULAR WEIGHT: 337.2881
SMILES: C1=C(C2=C(N=CN=C2N)N(C1=O)C3C(C(C(O3)CO)O)O)C(=O)N
Structure:
CAS RN: 64600-50-6
CAS Name: 5-[(6-methyl-4-oxo-3-pyrido[2,3-d]pyrimidinyl)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(6-methyl-4-oxo-pyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(6-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(6-methyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H11N5O3
MOLECULAR WEIGHT: 285.25814
SMILES: CC1=CN=C2C(=C1)C(=O)N(C=N2)CC3=CNC(=O)NC3=O
Structure:
CAS RN: 64600-55-1
CAS Name: 5-[(4-oxo-3-pyrido[2,3-d]pyrimidinyl)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H9N5O3
MOLECULAR WEIGHT: 271.23156
SMILES: C1=CC2=C(N=C1)N=CN(C2=O)CC3=CNC(=O)NC3=O
Structure:
CAS RN: 64600-53-9
CAS Name: 5-[(4-oxo-8-pyrido[2,3-d]pyrimidinyl)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-oxidanylidenepyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H9N5O3
MOLECULAR WEIGHT: 271.23156
SMILES: C1=CN(C2=NC=NC(=O)C2=C1)CC3=CNC(=O)NC3=O
Structure:
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