CAS RN: 70479-42-4
CAS Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,7-trimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,7-trimethoxy-chroman-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,7-trimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-2,3,7-trimethoxy-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C20H22O8
MOLECULAR WEIGHT: 390.38388
SMILES: COC1=CC2=C(C=C1)C(=O)C(C(O2)(C3=CC(=C(C=C3)OC)OC)OC)(O)OC
Structure:
CAS RN: 19275-68-4
CAS Name: 3-hydroxy-2-(4-methylphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2-(p-tolyl)chromen-4-one
IUPAC Name: 3-hydroxy-2-(4-methylphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-methylphenyl)-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
Structure:
CAS RN: 70460-53-6
CAS Name: 2-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxy-chroman-4-one
IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-2,3-dimethoxy-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H15ClO5
MOLECULAR WEIGHT: 334.751
SMILES: COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 1603-43-6
CAS Name: 6-methoxy-6-(4-methoxyphenyl)[1]benzopyrano[4,3-b]quinoxaline
OPENEYE Name: 6-methoxy-6-(4-methoxyphenyl)chromeno[4,3-b]quinoxaline
IUPAC Name: 6-methoxy-6-(4-methoxyphenyl)chromeno[4,3-b]quinoxaline
SYSTEMATIC NAME: 6-methoxy-6-(4-methoxyphenyl)chromeno[4,3-b]quinoxaline
MOLECULAR FORMULA: C23H18N2O3
MOLECULAR WEIGHT: 370.40062
SMILES: COC1=CC=C(C=C1)C2(C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5O2)OC
Structure:
CAS RN: 1808-02-2
CAS Name: 3-hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)chroman-4-one
IUPAC Name: 3-hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2,3,7-trimethoxy-2-(4-methoxyphenyl)-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H20O7
MOLECULAR WEIGHT: 360.3579
SMILES: COC1=CC=C(C=C1)C2(C(C(=O)C3=C(O2)C=C(C=C3)OC)(O)OC)OC
Structure:
CAS RN: 1603-44-7
CAS Name: 3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)chroman-4-one
IUPAC Name: 3,3-dihydroxy-2-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-methoxy-2-(4-methoxyphenyl)-3,3-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: COC1=CC=C(C=C1)C2(C(C(=O)C3=CC=CC=C3O2)(O)O)OC
Structure:
CAS RN: 70460-60-5
CAS Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-3,4-dione
OPENEYE Name: 2-phenylchromane-3,4-dione
IUPAC Name: 2-phenylchromene-3,4-dione
SYSTEMATIC NAME: 2-phenylchromene-3,4-dione
MOLECULAR FORMULA: C15H10O3
MOLECULAR WEIGHT: 238.2381
SMILES: C1=CC=C(C=C1)C2C(=O)C(=O)C3=CC=CC=C3O2
Structure:
CAS RN: 70460-54-7
CAS Name: 3-hydroxy-2-methoxy-3-(nitromethyl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2-methoxy-3-(nitromethyl)-2-phenyl-chroman-4-one
IUPAC Name: 3-hydroxy-2-methoxy-3-(nitromethyl)-2-phenylchromen-4-one
SYSTEMATIC NAME: 2-methoxy-3-(nitromethyl)-3-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C17H15NO6
MOLECULAR WEIGHT: 329.3041
SMILES: COC1(C(C(=O)C2=CC=CC=C2O1)(C[N+](=O)[O-])O)C3=CC=CC=C3
Structure:
CAS RN: 13198-99-7
CAS Name: 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(4-methoxyphenyl)-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC)O
Structure:
CAS RN: 105901-39-1
CAS Name: 1-[4-(1-oxopropyl)-2,3-dihydroquinoxalin-1-yl]-1-propanone
OPENEYE Name: 1-(4-propanoyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
IUPAC Name: 1-(4-propanoyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-propanoyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CCC(=O)N1CCN(C2=CC=CC=C21)C(=O)CC
Structure:
CAS RN: 189250-15-5
CAS Name: 1-(4-nitrophenyl)sulfonylpyrrole
OPENEYE Name: 1-(4-nitrophenyl)sulfonylpyrrole
IUPAC Name: 1-(4-nitrophenyl)sulfonylpyrrole
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonylpyrrole
MOLECULAR FORMULA: C10H8N2O4S
MOLECULAR WEIGHT: 252.24652
SMILES: C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 58262-43-4
CAS Name: 3-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: 17-(1,5-dimethylhexyl)-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: 3-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-3-oxidanyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: CC(C)CCCC(C)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
Structure:
CAS RN: 82356-48-7
CAS Name: 4-[(2,4-dimethoxy-3,6-dimethylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid methyl ester
OPENEYE Name: methyl 4-(2,4-dimethoxy-3,6-dimethyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoate
IUPAC Name: methyl 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate
SYSTEMATIC NAME: methyl 4-(2,4-dimethoxy-3,6-dimethyl-phenyl)carbonyloxy-3,6-dimethyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C21H24O7
MOLECULAR WEIGHT: 388.41106
SMILES: CC1=CC(=C(C(=C1C(=O)OC)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC
Structure:
CAS RN: 981-25-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H18O3S
MOLECULAR WEIGHT: 374.45222
SMILES: C1C2C(S1(=O)=O)C3(C4=CC=CC=C4C2(O3)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 5687-92-3
CAS Name: thietane 1,1-dioxide
OPENEYE Name: thietane 1,1-dioxide
IUPAC Name: thietane 1,1-dioxide
SYSTEMATIC NAME: thietane 1,1-dioxide
MOLECULAR FORMULA: C3H6O2S
MOLECULAR WEIGHT: 106.14354
SMILES: C1CS(=O)(=O)C1
Structure:
CAS RN: 7417-20-1
CAS Name: 2-(3,5-dimethoxyphenyl)ethanol
OPENEYE Name: 2-(3,5-dimethoxyphenyl)ethanol
IUPAC Name: 2-(3,5-dimethoxyphenyl)ethanol
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)ethanol
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: COC1=CC(=CC(=C1)CCO)OC
Structure:
CAS RN: 18504-80-8
CAS Name: 2-[(3-nitro-2-pyridinyl)thio]acetic acid
OPENEYE Name: 2-[(3-nitro-2-pyridyl)sulfanyl]acetic acid
IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(3-nitropyridin-2-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C7H6N2O4S
MOLECULAR WEIGHT: 214.19854
SMILES: C1=CC(=C(N=C1)SCC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 89180-20-1
CAS Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)acetic acid
OPENEYE Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)acetic acid
IUPAC Name: 2-(4,6-diamino-1,3,5-triazin-2-yl)acetic acid
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]ethanoic acid
MOLECULAR FORMULA: C5H7N5O2
MOLECULAR WEIGHT: 169.14138
SMILES: C(C1=NC(=NC(=N1)N)N)C(=O)O
Structure:
CAS RN: 4128-93-2
CAS Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)propyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[3-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]propyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H14N10
MOLECULAR WEIGHT: 262.27446
SMILES: C(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N
Structure:
CAS RN: 35812-38-5
CAS Name: 1,3,7-trimethyl-8-propylpurine-2,6-dione
OPENEYE Name: 1,3,7-trimethyl-8-propyl-purine-2,6-dione
IUPAC Name: 1,3,7-trimethyl-8-propylpurine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethyl-8-propyl-purine-2,6-dione
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 1096-72-6
CAS Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H11N5O4
MOLECULAR WEIGHT: 301.25754
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6698-46-0
CAS Name: benzoic acid (2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl ester
OPENEYE Name: (2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
IUPAC Name: (2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
SYSTEMATIC NAME: (2,2-dimethyl-6-oxidanylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate
MOLECULAR FORMULA: C15H16O6
MOLECULAR WEIGHT: 292.28394
SMILES: CC1(OC2C(O1)OC(C2=O)COC(=O)C3=CC=CC=C3)C
Structure:
CAS RN: 13276-59-0
CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-mercapto-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-sulfanyloxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-sulfanyl-oxolan-3-ol
MOLECULAR FORMULA: C10H13N5O3S
MOLECULAR WEIGHT: 283.30692
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)S)O
Structure:
CAS RN: 94464-30-9
CAS Name: 2-[4-[(1,3-dioxo-2-isoindolyl)oxy]butoxy]isoindole-1,3-dione
OPENEYE Name: 2-[4-(1,3-dioxoisoindolin-2-yl)oxybutoxy]isoindoline-1,3-dione
IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)oxybutoxy]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxybutoxy]isoindole-1,3-dione
MOLECULAR FORMULA: C20H16N2O6
MOLECULAR WEIGHT: 380.35084
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OCCCCON3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 40338-52-1
CAS Name: benzenesulfonic acid (2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl) ester
OPENEYE Name: (2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl) benzenesulfonate
IUPAC Name: (2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl) benzenesulfonate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrido[2,3-d]pyrimidin-3-yl] benzenesulfonate
MOLECULAR FORMULA: C13H9N3O5S
MOLECULAR WEIGHT: 319.29266
SMILES: C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(NC2=O)N=CC=C3
Structure:
CAS RN: 10505-22-3
CAS Name: benzenesulfonic acid (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) ester
OPENEYE Name: (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate
IUPAC Name: (1-methyl-5,7-dioxo-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate
SYSTEMATIC NAME: [1-methyl-5,7-bis(oxidanylidene)-4H-pyrazolo[4,3-d]pyrimidin-6-yl] benzenesulfonate
MOLECULAR FORMULA: C12H10N4O5S
MOLECULAR WEIGHT: 322.2966
SMILES: CN1C2=C(C=N1)NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 10505-24-5
CAS Name: benzenesulfonic acid (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) ester
OPENEYE Name: (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
IUPAC Name: (2-methyl-4,6-dioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl) benzenesulfonate
SYSTEMATIC NAME: [2-methyl-4,6-bis(oxidanylidene)-1H-pyrazolo[3,4-d]pyrimidin-5-yl] benzenesulfonate
MOLECULAR FORMULA: C12H10N4O5S
MOLECULAR WEIGHT: 322.2966
SMILES: CN1C=C2C(=NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N1
Structure:
CAS RN: 87179-40-6
CAS Name: N-(3-methylphenyl)-4-phenyl-1-piperazinecarboxamide
OPENEYE Name: N-(m-tolyl)-4-phenyl-piperazine-1-carboxamide
IUPAC Name: N-(3-methylphenyl)-4-phenylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-methylphenyl)-4-phenyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C18H21N3O
MOLECULAR WEIGHT: 295.37884
SMILES: CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 1775-11-7
CAS Name: N-(3-methylphenyl)carbamic acid 2-[2-[(3-methylanilino)-oxomethoxy]ethyl-(phenylmethyl)amino]ethyl ester
OPENEYE Name: 2-[benzyl-[2-(m-tolylcarbamoyloxy)ethyl]amino]ethyl N-(m-tolyl)carbamate
IUPAC Name: 2-[benzyl-[2-[(3-methylphenyl)carbamoyloxy]ethyl]amino]ethyl N-(3-methylphenyl)carbamate
SYSTEMATIC NAME: 2-[2-[(3-methylphenyl)carbamoyloxy]ethyl-(phenylmethyl)amino]ethyl N-(3-methylphenyl)carbamate
MOLECULAR FORMULA: C27H31N3O4
MOLECULAR WEIGHT: 461.55274
SMILES: CC1=CC(=CC=C1)NC(=O)OCCN(CCOC(=O)NC2=CC=CC(=C2)C)CC3=CC=CC=C3
Structure:
CAS RN: 5753-18-4
CAS Name: 3,6-dimethyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
OPENEYE Name: 3,6-dimethyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
IUPAC Name: 3,6-dimethyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
SYSTEMATIC NAME: 3,6-dimethyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
MOLECULAR FORMULA: C8H11N3O2
MOLECULAR WEIGHT: 181.19184
SMILES: CC1=NC(=O)C2=C(N1)CN(CO2)C
Structure:
CAS RN: 13365-48-5
CAS Name: 3-methyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
OPENEYE Name: 3-methyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
IUPAC Name: 3-methyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
SYSTEMATIC NAME: 3-methyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CN1CC2=C(C(=O)N=C(N2)C3=CC=CC=C3)OC1
Structure:
CAS RN: 13387-93-4
CAS Name: 6-phenyl-3-(phenylmethyl)-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
OPENEYE Name: 3-benzyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
IUPAC Name: 3-benzyl-6-phenyl-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
SYSTEMATIC NAME: 6-phenyl-3-(phenylmethyl)-4,5-dihydro-2H-pyrimido[4,5-e][1,3]oxazin-8-one
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: C1C2=C(C(=O)N=C(N2)C3=CC=CC=C3)OCN1CC4=CC=CC=C4
Structure:
CAS RN: 13922-59-3
CAS Name: 5-methyl-3-(phenylmethyl)-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
OPENEYE Name: 3-benzyl-5-methyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
IUPAC Name: 3-benzyl-5-methyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
SYSTEMATIC NAME: 5-methyl-3-(phenylmethyl)-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
MOLECULAR FORMULA: C14H15N3O3
MOLECULAR WEIGHT: 273.2872
SMILES: CN1C2=C(C(=O)NC1=O)OCN(C2)CC3=CC=CC=C3
Structure:
CAS RN: 5604-46-6
CAS Name: 2-amino-4,6-dichloro-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde
IUPAC Name: 2-amino-4,6-dichloropyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-azanyl-4,6-bis(chloranyl)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C5H3Cl2N3O
MOLECULAR WEIGHT: 192.00282
SMILES: C(=O)C1=C(N=C(N=C1Cl)N)Cl
Structure:
CAS RN: 23082-25-9
CAS Name: methanesulfonic acid 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester
OPENEYE Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-methyl-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C13H20N2O7S2
MOLECULAR WEIGHT: 380.4371
SMILES: CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O
Structure:
CAS RN: 23087-46-9
CAS Name: methanesulfonic acid 2-[3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl ester
OPENEYE Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
IUPAC Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[(3-chlorophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C12H18ClNO6S2
MOLECULAR WEIGHT: 371.85742
SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 13922-44-6
CAS Name: 5-hydroxy-2-methyl-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one
OPENEYE Name: 5-hydroxy-2-methyl-6-(1-piperidylmethyl)-1H-pyrimidin-4-one
IUPAC Name: 5-hydroxy-2-methyl-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-methyl-5-oxidanyl-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H17N3O2
MOLECULAR WEIGHT: 223.27158
SMILES: CC1=NC(=O)C(=C(N1)CN2CCCCC2)O
Structure:
CAS RN: 94463-13-5
CAS Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid
OPENEYE Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
IUPAC Name: 2-(6-bromo-1,3-benzodioxol-5-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
SYSTEMATIC NAME: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
MOLECULAR FORMULA: C17H10BrNO8
MOLECULAR WEIGHT: 436.1672
SMILES: C1OC2=C(O1)C=C(C(=C2)C=C(C3=CC4=C(C=C3Br)OCO4)C(=O)O)[N+](=O)[O-]
Structure:
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