CAS RN: 10254-86-1
CAS Name: 1-(2-chloroethyl)-3-(2,3,5,6-tetramethylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2,3,5,6-tetramethylphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,3,5,6-tetramethylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2,3,5,6-tetramethylphenyl)urea
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CC1=CC(=C(C(=C1C)NC(=O)NCCCl)C)C
Structure:
CAS RN: 102367-00-0
CAS Name: 1,1,1,3,3,3-hexafluoro-2-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-pyrrolyl]methyl]-2-propanol
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-[[1-methyl-5-[3,3,3-tris(fluoranyl)-2-oxidanyl-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol
MOLECULAR FORMULA: C13H11F12NO2
MOLECULAR WEIGHT: 441.212778
SMILES: CN1C(=CC=C1CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 41108-58-1
CAS Name: 4-(2-carboxyethenylthio)butanoic acid
OPENEYE Name: 4-(2-carboxyvinylsulfanyl)butanoic acid
IUPAC Name: 4-(2-carboxyethenylsulfanyl)butanoic acid
SYSTEMATIC NAME: 4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)sulfanylbutanoic acid
MOLECULAR FORMULA: C7H10O4S
MOLECULAR WEIGHT: 190.2169
SMILES: C(CC(=O)O)CSC=CC(=O)O
Structure:
CAS RN: 16707-80-5
CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]-3-(phenylmethylthio)propanoic acid methyl ester
OPENEYE Name: methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanyl-propanoate
IUPAC Name: methyl 2-[(2-benzamidoacetyl)amino]-3-benzylsulfanylpropanoate
SYSTEMATIC NAME: methyl 2-(2-benzamidoethanoylamino)-3-(phenylmethylsulfanyl)propanoate
MOLECULAR FORMULA: C20H22N2O4S
MOLECULAR WEIGHT: 386.46468
SMILES: COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 34826-14-7
CAS Name: 4,5-diphenyl-3,6-dihydrodithiin 1-oxide
OPENEYE Name: 4,5-diphenyl-3,6-dihydrodithiine 1-oxide
IUPAC Name: 4,5-diphenyl-3,6-dihydrodithiine 1-oxide
SYSTEMATIC NAME: 4,5-diphenyl-3,6-dihydro-1,2-dithiine 1-oxide
MOLECULAR FORMULA: C16H14OS2
MOLECULAR WEIGHT: 286.41176
SMILES: C1C(=C(CS(=O)S1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 34804-73-4
CAS Name: 4,5-diphenyl-3,6-dihydrodithiin
OPENEYE Name: 4,5-diphenyl-3,6-dihydrodithiine
IUPAC Name: 4,5-diphenyl-3,6-dihydrodithiine
SYSTEMATIC NAME: 4,5-diphenyl-3,6-dihydro-1,2-dithiine
MOLECULAR FORMULA: C16H14S2
MOLECULAR WEIGHT: 270.41236
SMILES: C1C(=C(CSS1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4651-97-2
CAS Name: 2-amino-4-methyl-3-thiophenecarboxamide
OPENEYE Name: 2-amino-4-methyl-thiophene-3-carboxamide
IUPAC Name: 2-amino-4-methylthiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-4-methyl-thiophene-3-carboxamide
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: CC1=CSC(=C1C(=O)N)N
Structure:
CAS RN: 38864-48-1
CAS Name: 2-[(3,4-dichlorophenyl)thio]acetic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-(3,4-dichlorophenyl)sulfanylacetate
IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-(3,4-dichlorophenyl)sulfanylacetate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 2-(3,4-dichlorophenyl)sulfanylethanoate
MOLECULAR FORMULA: C18H18Cl2N2O6S
MOLECULAR WEIGHT: 461.31632
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CSC3=CC(=C(C=C3)Cl)Cl)O
Structure:
CAS RN: 90610-01-8
CAS Name: 1-nitro-4,5-dihydroimidazol-2-amine
OPENEYE Name: 1-nitro-4,5-dihydroimidazol-2-amine
IUPAC Name: 1-nitro-4,5-dihydroimidazol-2-amine
SYSTEMATIC NAME: 1-nitro-4,5-dihydroimidazol-2-amine
MOLECULAR FORMULA: C3H6N4O2
MOLECULAR WEIGHT: 130.10534
SMILES: C1CN(C(=N1)N)[N+](=O)[O-]
Structure:
CAS RN: 20367-35-5
CAS Name: 1-[2-chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-[2-chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-[2-chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[2-chloranyl-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H26ClN5
MOLECULAR WEIGHT: 383.91764
SMILES: CC1(N=C(N=C(N1C2=C(C=C(C=C2)CCCCC3=CC=CC=C3)Cl)N)N)C
Structure:
CAS RN: 760-58-7
CAS Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H13Cl2N5
MOLECULAR WEIGHT: 286.16042
SMILES: CC1(N=C(N=C(N1C2=C(C=CC(=C2)Cl)Cl)N)N)C
Structure:
CAS RN: 20285-54-5
CAS Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H13Cl2N5
MOLECULAR WEIGHT: 286.16042
SMILES: CC1(N=C(N=C(N1C2=C(C=CC(=C2)Cl)Cl)N)N)C
Structure:
CAS RN: 39631-75-9
CAS Name: 1-(2-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(2-fluorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H14FN5
MOLECULAR WEIGHT: 235.260763
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2F)N)N)C
Structure:
CAS RN: 7605-71-2
CAS Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C12H17N5O
MOLECULAR WEIGHT: 247.29628
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2OC)N)N)C
Structure:
CAS RN: 20285-47-6
CAS Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C12H17N5O
MOLECULAR WEIGHT: 247.29628
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2OC)N)N)C
Structure:
CAS RN: 863-76-3
CAS Name: acetic acid (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) ester
OPENEYE Name: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
IUPAC Name: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
SYSTEMATIC NAME: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) ethanoate
MOLECULAR FORMULA: C32H52O2
MOLECULAR WEIGHT: 468.75408
SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C
Structure:
CAS RN: 53135-24-3
CAS Name: 2-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-6-oxidanylidene-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CCOC(=O)C1=CN=C(NC1=O)C
Structure:
CAS RN: 33497-68-6
CAS Name: 2-(2-acetamidophenyl)-N-cyclopentyl-2-cyclopentyliminoacetamide
OPENEYE Name: 2-(2-acetamidophenyl)-N-cyclopentyl-2-cyclopentylimino-acetamide
IUPAC Name: 2-(2-acetamidophenyl)-N-cyclopentyl-2-cyclopentyliminoacetamide
SYSTEMATIC NAME: 2-(2-acetamidophenyl)-N-cyclopentyl-2-cyclopentylimino-ethanamide
MOLECULAR FORMULA: C20H27N3O2
MOLECULAR WEIGHT: 341.44728
SMILES: CC(=O)NC1=CC=CC=C1C(=NC2CCCC2)C(=O)NC3CCCC3
Structure:
CAS RN: 3329-88-2
CAS Name: 2-(2-acetamidophenyl)-N-butyl-2-butyliminoacetamide
OPENEYE Name: 2-(2-acetamidophenyl)-N-butyl-2-butylimino-acetamide
IUPAC Name: 2-(2-acetamidophenyl)-N-butyl-2-butyliminoacetamide
SYSTEMATIC NAME: 2-(2-acetamidophenyl)-N-butyl-2-butylimino-ethanamide
MOLECULAR FORMULA: C18H27N3O2
MOLECULAR WEIGHT: 317.42588
SMILES: CCCCNC(=O)C(=NCCCC)C1=CC=CC=C1NC(=O)C
Structure:
CAS RN: 29887-38-5
CAS Name: 3,5-diphenyl-4-triazolamine
OPENEYE Name: 3,5-diphenyltriazol-4-amine
IUPAC Name: 3,5-diphenyltriazol-4-amine
SYSTEMATIC NAME: 3,5-diphenyl-1,2,3-triazol-4-amine
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)N
Structure:
CAS RN: 2763-20-4
CAS Name: 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
OPENEYE Name: 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
IUPAC Name: 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
SYSTEMATIC NAME: 3-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CC=C4C5=CC(=O)OC5)O)C)O
Structure:
CAS RN: 38339-26-3
CAS Name: 5-(dimethylaminoazo)-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(dimethylaminoazo)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(dimethylaminodiazenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(dimethylaminodiazenyl)-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H17N5O5
MOLECULAR WEIGHT: 299.28318
SMILES: CN(C)N=NC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Structure:
CAS RN: 20688-37-3
CAS Name: 4-amino-1,1-dioxo-3-thiolanol
OPENEYE Name: 4-amino-1,1-dioxo-thiolan-3-ol
IUPAC Name: 4-amino-1,1-dioxothiolan-3-ol
SYSTEMATIC NAME: 4-azanyl-1,1-bis(oxidanylidene)thiolan-3-ol
MOLECULAR FORMULA: C4H9NO3S
MOLECULAR WEIGHT: 151.18416
SMILES: C1C(C(CS1(=O)=O)O)N
Structure:
CAS RN: 55261-00-2
CAS Name: 4-amino-1,1-dioxo-3-thiolanol
OPENEYE Name: 4-amino-1,1-dioxo-thiolan-3-ol
IUPAC Name: 4-amino-1,1-dioxothiolan-3-ol
SYSTEMATIC NAME: 4-azanyl-1,1-bis(oxidanylidene)thiolan-3-ol
MOLECULAR FORMULA: C4H9NO3S
MOLECULAR WEIGHT: 151.18416
SMILES: C1C(C(CS1(=O)=O)O)N
Structure:
CAS RN: 86597-94-6
CAS Name: acetic acid (1,1-dioxo-2,3-dihydrothiophen-3-yl) ester
OPENEYE Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate
IUPAC Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl] ethanoate
MOLECULAR FORMULA: C6H8O4S
MOLECULAR WEIGHT: 176.19032
SMILES: CC(=O)OC1CS(=O)(=O)C=C1
Structure:
CAS RN: 87939-27-3
CAS Name: acetic acid (1,1-dioxo-2,3-dihydrothiophen-3-yl) ester
OPENEYE Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate
IUPAC Name: (1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl] ethanoate
MOLECULAR FORMULA: C6H8O4S
MOLECULAR WEIGHT: 176.19032
SMILES: CC(=O)OC1CS(=O)(=O)C=C1
Structure:
CAS RN: 77776-68-2
CAS Name: 1,3-benzoxazol-2-yl(diphenyl)methanol
OPENEYE Name: 1,3-benzoxazol-2-yl(diphenyl)methanol
IUPAC Name: 1,3-benzoxazol-2-yl(diphenyl)methanol
SYSTEMATIC NAME: 1,3-benzoxazol-2-yl(diphenyl)methanol
MOLECULAR FORMULA: C20H15NO2
MOLECULAR WEIGHT: 301.3386
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC4=CC=CC=C4O3)O
Structure:
CAS RN: 5114-73-8
CAS Name: 9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
OPENEYE Name: 9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
IUPAC Name: 9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
SYSTEMATIC NAME: 9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: COC1=C(C=C2C3CC(=O)C4=C(N3CCC2=C1)CCCC4)OC
Structure:
CAS RN: 29947-05-5
CAS Name: 3-(4,4-dimethyl-5H-oxazol-2-yl)-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
OPENEYE Name: 3-(4,4-dimethyl-5H-oxazol-2-yl)-1-phenyl-tetralin-1-ol
IUPAC Name: 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
SYSTEMATIC NAME: 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1(COC(=N1)C2CC3=CC=CC=C3C(C2)(C4=CC=CC=C4)O)C
Structure:
CAS RN: 22944-86-1
CAS Name: 3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)-1-propanol
OPENEYE Name: 3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)propan-1-ol
IUPAC Name: 3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)propan-1-ol
SYSTEMATIC NAME: 3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)propan-1-ol
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CC1CC(N=C(O1)CCCO)(C)C
Structure:
CAS RN: 36871-41-7
CAS Name: 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]propanedioate
IUPAC Name: diethyl 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]propanedioate
MOLECULAR FORMULA: C16H27NO5
MOLECULAR WEIGHT: 313.38928
SMILES: CCOC(=O)C(CCC1=NC(CC(O1)C)(C)C)C(=O)OCC
Structure:
CAS RN: 41625-76-7
CAS Name: 2-(1-cyclohexylpropan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
OPENEYE Name: 2-(2-cyclohexyl-1-methyl-ethyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
IUPAC Name: 2-(1-cyclohexylpropan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SYSTEMATIC NAME: 2-(1-cyclohexylpropan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
MOLECULAR FORMULA: C16H29NO
MOLECULAR WEIGHT: 251.40756
SMILES: CC1CC(N=C(O1)C(C)CC2CCCCC2)(C)C
Structure:
CAS RN: 5057-12-5
CAS Name: 1,3,4,6,7,8-hexahydroquinoline-2,5-dione
OPENEYE Name: 1,3,4,6,7,8-hexahydroquinoline-2,5-dione
IUPAC Name: 1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SYSTEMATIC NAME: 1,3,4,6,7,8-hexahydroquinoline-2,5-dione
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1CC2=C(CCC(=O)N2)C(=O)C1
Structure:
CAS RN: 1874-85-7
CAS Name: 3-(2,6-dioxocyclohexyl)propanenitrile
OPENEYE Name: 3-(2,6-dioxocyclohexyl)propanenitrile
IUPAC Name: 3-(2,6-dioxocyclohexyl)propanenitrile
SYSTEMATIC NAME: 3-[2,6-bis(oxidanylidene)cyclohexyl]propanenitrile
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1CC(=O)C(C(=O)C1)CCC#N
Structure:
CAS RN: 21527-56-0
CAS Name: 2-(nitromethyl)-1-cyclohexanol
OPENEYE Name: 2-(nitromethyl)cyclohexanol
IUPAC Name: 2-(nitromethyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(nitromethyl)cyclohexan-1-ol
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: C1CCC(C(C1)C[N+](=O)[O-])O
Structure:
CAS RN: 514-96-5
CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H18O7
MOLECULAR WEIGHT: 358.34202
SMILES: COC1=C(C=C(C=C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC
Structure:
CAS RN: 39204-55-2
CAS Name: 3-methyl-7-oxidoimidazo[1,5-a]pyrazin-7-ium
OPENEYE Name: 3-methyl-7-oxido-imidazo[1,5-a]pyrazin-7-ium
IUPAC Name: 3-methyl-7-oxidoimidazo[1,5-a]pyrazin-7-ium
SYSTEMATIC NAME: 3-methyl-7-oxidanidyl-imidazo[1,5-a]pyrazin-7-ium
MOLECULAR FORMULA: C7H7N3O
MOLECULAR WEIGHT: 149.14998
SMILES: CC1=NC=C2N1C=C[N+](=C2)[O-]
Structure:
CAS RN: 17840-96-9
CAS Name: 7,14,21-trithiatrispiro[5.1.5^{8}.1.5^{15}.1^{6}]heneicosane
OPENEYE Name: 7,14,21-trithiatrispiro[5.1.5^{8}.1.5^{15}.1^{6}]henicosane
IUPAC Name: 7,14,21-trithiatrispiro[5.1.5^{8}.1.5^{15}.1^{6}]henicosane
SYSTEMATIC NAME: 7,14,21-trithiatrispiro[5.1.5^{8}.1.5^{15}.1^{6}]henicosane
MOLECULAR FORMULA: C18H30S3
MOLECULAR WEIGHT: 342.6258
SMILES: C1CCC2(CC1)SC3(CCCCC3)SC4(S2)CCCCC4
Structure:
CAS RN: 4575-13-7
CAS Name: 1,4-dithiaspiro[4.5]decane-2,3-dione
OPENEYE Name: 1,4-dithiaspiro[4.5]decane-2,3-dione
IUPAC Name: 1,4-dithiaspiro[4.5]decane-2,3-dione
SYSTEMATIC NAME: 1,4-dithiaspiro[4.5]decane-2,3-dione
MOLECULAR FORMULA: C8H10O2S2
MOLECULAR WEIGHT: 202.2938
SMILES: C1CCC2(CC1)SC(=O)C(=O)S2
Structure:
No comments:
Post a Comment