CAS RN: 50427-08-2
CAS Name: 2-anilino-6-methyl-1H-pyrimidin-4-one
OPENEYE Name: 2-anilino-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-anilino-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-2-phenylazanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC1=CC(=O)N=C(N1)NC2=CC=CC=C2
Structure:
CAS RN: 94042-68-9
CAS Name: N4,N4-diethylbenzene-1,4-diamine; sulfur dioxide
OPENEYE Name: N4,N4-diethylbenzene-1,4-diamine; sulfur dioxide
IUPAC Name: 4-N,4-N-diethylbenzene-1,4-diamine; sulfur dioxide
SYSTEMATIC NAME: N4,N4-diethylbenzene-1,4-diamine; sulfur dioxide
MOLECULAR FORMULA: C10H16N2O2S
MOLECULAR WEIGHT: 228.31124
SMILES: CCN(CC)C1=CC=C(C=C1)N.O=S=O
Structure:
CAS RN: 38647-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(C[C@@H](C6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)O)C
Structure:
CAS RN: 37395-77-0
CAS Name: 6-methoxy-1H-3,1-benzoxazine-2,4-dione
OPENEYE Name: 6-methoxy-1H-3,1-benzoxazine-2,4-dione
IUPAC Name: 6-methoxy-1H-3,1-benzoxazine-2,4-dione
SYSTEMATIC NAME: 6-methoxy-1H-3,1-benzoxazine-2,4-dione
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: COC1=CC2=C(C=C1)NC(=O)OC2=O
Structure:
CAS RN: 34864-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@@]34[C@@]2([C@@]5(CO5)C(=O)[C@@H]3O4)C
Structure:
CAS RN: 110471-64-2
CAS Name: (5aS,8aS,9R)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5aS,8aS,9R)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5aS,8aS,9R)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5aS,8aS,9R)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C28H32O13
MOLECULAR WEIGHT: 576.54588
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](CC4=C(C5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O)COC3=O
Structure:
CAS RN: 16481-54-2
CAS Name: 5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: 5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: 5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C28H32O13
MOLECULAR WEIGHT: 576.54588
SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O
Structure:
CAS RN: 34314-69-7
CAS Name: 5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d]triazole-4,6-dione
OPENEYE Name: 5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d]triazole-4,6-dione
IUPAC Name: 5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d]triazole-4,6-dione
SYSTEMATIC NAME: 5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
MOLECULAR FORMULA: C10H8N4O2
MOLECULAR WEIGHT: 216.19612
SMILES: C1=CC=C(C=C1)N2C(=O)C3C(C2=O)N=NN3
Structure:
CAS RN: 60687-65-2
CAS Name: 2-[6-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]butylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[4-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C24H32N10O8
MOLECULAR WEIGHT: 588.57308
SMILES: C1=NC2=C(C(=N1)NCCCCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N=CN2C6C(C(C(O6)CO)O)O
Structure:
CAS RN: 4236-48-0
CAS Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone
OPENEYE Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone
IUPAC Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone
SYSTEMATIC NAME: 1,14-diphenyltetradecane-1,3,12,14-tetrone
MOLECULAR FORMULA: C26H30O4
MOLECULAR WEIGHT: 406.514
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)CCCCCCCCC(=O)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 57247-77-5
CAS Name: 1,8-diphenyloctane-1,3,6,8-tetrone
OPENEYE Name: 1,8-diphenyloctane-1,3,6,8-tetrone
IUPAC Name: 1,8-diphenyloctane-1,3,6,8-tetrone
SYSTEMATIC NAME: 1,8-diphenyloctane-1,3,6,8-tetrone
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)CCC(=O)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 1614-73-9
CAS Name: 4-[2-(4-oxopentan-2-ylideneamino)propylimino]-2-pentanone
OPENEYE Name: 4-[2-[(1-methyl-3-oxo-butylidene)amino]propylimino]pentan-2-one
IUPAC Name: 4-[2-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
SYSTEMATIC NAME: 4-[2-(4-oxidanylidenepentan-2-ylideneamino)propylimino]pentan-2-one
MOLECULAR FORMULA: C13H22N2O2
MOLECULAR WEIGHT: 238.32598
SMILES: CC(CN=C(C)CC(=O)C)N=C(C)CC(=O)C
Structure:
CAS RN: 58721-68-9
CAS Name: 2-mercapto-N-methyl-N-phenylacetamide
OPENEYE Name: N-methyl-N-phenyl-2-sulfanyl-acetamide
IUPAC Name: N-methyl-N-phenyl-2-sulfanylacetamide
SYSTEMATIC NAME: N-methyl-N-phenyl-2-sulfanyl-ethanamide
MOLECULAR FORMULA: C9H11NOS
MOLECULAR WEIGHT: 181.25474
SMILES: CN(C1=CC=CC=C1)C(=O)CS
Structure:
CAS RN: 56872-60-7
CAS Name: 1,3-dichloroimidazo[1,5-a]pyrazine
OPENEYE Name: 1,3-dichloroimidazo[1,5-a]pyrazine
IUPAC Name: 1,3-dichloroimidazo[1,5-a]pyrazine
SYSTEMATIC NAME: 1,3-bis(chloranyl)imidazo[1,5-a]pyrazine
MOLECULAR FORMULA: C6H3Cl2N3
MOLECULAR WEIGHT: 188.01412
SMILES: C1=CN2C(=C(N=C2Cl)Cl)C=N1
Structure:
CAS RN: 364-92-1
CAS Name: 4-thiadiazolo[4,5-c]pyridinamine
OPENEYE Name: thiadiazolo[4,5-c]pyridin-4-amine
IUPAC Name: thiadiazolo[4,5-c]pyridin-4-amine
SYSTEMATIC NAME: [1,2,3]thiadiazolo[4,5-c]pyridin-4-amine
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=CN=C(C2=C1SN=N2)N
Structure:
CAS RN: 88852-60-2
CAS Name: 3-(5,7-diamino-3-triazolo[4,5-d]pyrimidinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
OPENEYE Name: 3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
IUPAC Name: 3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SYSTEMATIC NAME: 3-[5,7-bis(azanyl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C10H15N7O3
MOLECULAR WEIGHT: 281.2712
SMILES: C1C(C(C(C1N2C3=C(C(=NC(=N3)N)N)N=N2)O)O)CO
Structure:
CAS RN: 6269-72-3
CAS Name: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[[(4-methylphenyl)thio]methyl]-1-benzothiophene
OPENEYE Name: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-(p-tolylsulfanylmethyl)benzothiophene
IUPAC Name: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene
SYSTEMATIC NAME: 5-chloranyl-2-[(4-chloranylphenoxy)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene
MOLECULAR FORMULA: C23H18Cl2OS2
MOLECULAR WEIGHT: 445.42442
SMILES: CC1=CC=C(C=C1)SCC2=C(SC3=C2C=C(C=C3)Cl)COC4=CC=C(C=C4)Cl
Structure:
CAS RN: 7621-74-1
CAS Name: 1,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
OPENEYE Name: 1,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
IUPAC Name: 1,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C18H18N2O4
MOLECULAR WEIGHT: 326.34652
SMILES: C1=CC2=C(C(=C1)NCCO)C(=O)C3=C(C2=O)C=CC=C3NCCO
Structure:
CAS RN: 197170-08-4
CAS Name: 2,4-bis(3,4-dimethoxyphenyl)butanoic acid
OPENEYE Name: 2,4-bis(3,4-dimethoxyphenyl)butanoic acid
IUPAC Name: 2,4-bis(3,4-dimethoxyphenyl)butanoic acid
SYSTEMATIC NAME: 2,4-bis(3,4-dimethoxyphenyl)butanoic acid
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: COC1=C(C=C(C=C1)CCC(C2=CC(=C(C=C2)OC)OC)C(=O)O)OC
Structure:
CAS RN: 5143-30-6
CAS Name: 2-[1-(3-bromo-4-pyridinyl)-1-hydroperoxypropyl]-4,4-dimethyl-5H-oxazole
OPENEYE Name: 2-[1-(3-bromo-4-pyridyl)-1-hydroperoxy-propyl]-4,4-dimethyl-5H-oxazole
IUPAC Name: 2-[1-(3-bromopyridin-4-yl)-1-hydroperoxypropyl]-4,4-dimethyl-5H-1,3-oxazole
SYSTEMATIC NAME: 2-[1-(3-bromanylpyridin-4-yl)-1-(dioxidanyl)propyl]-4,4-dimethyl-5H-1,3-oxazole
MOLECULAR FORMULA: C13H17BrN2O3
MOLECULAR WEIGHT: 329.18968
SMILES: CCC(C1=C(C=NC=C1)Br)(C2=NC(CO2)(C)C)OO
Structure:
CAS RN: 1024-37-9
CAS Name: 1-[cyano(phenyl)methyl]-3-(2-hydroxyethyl)urea
OPENEYE Name: 1-[cyano(phenyl)methyl]-3-(2-hydroxyethyl)urea
IUPAC Name: 1-[cyano(phenyl)methyl]-3-(2-hydroxyethyl)urea
SYSTEMATIC NAME: 1-[cyano(phenyl)methyl]-3-(2-hydroxyethyl)urea
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: C1=CC=C(C=C1)C(C#N)NC(=O)NCCO
Structure:
CAS RN: 102613-08-1
CAS Name: N-[3-(4-morpholinyl)propyl]-10-undecenamide
OPENEYE Name: N-(3-morpholinopropyl)undec-10-enamide
IUPAC Name: N-(3-morpholin-4-ylpropyl)undec-10-enamide
SYSTEMATIC NAME: N-(3-morpholin-4-ylpropyl)undec-10-enamide
MOLECULAR FORMULA: C18H34N2O2
MOLECULAR WEIGHT: 310.47476
SMILES: C=CCCCCCCCCC(=O)NCCCN1CCOCC1
Structure:
CAS RN: 102613-01-4
CAS Name: N,N-bis(2-methoxyethyl)-10-undecenamide
OPENEYE Name: N,N-bis(2-methoxyethyl)undec-10-enamide
IUPAC Name: N,N-bis(2-methoxyethyl)undec-10-enamide
SYSTEMATIC NAME: N,N-bis(2-methoxyethyl)undec-10-enamide
MOLECULAR FORMULA: C17H33NO3
MOLECULAR WEIGHT: 299.44882
SMILES: COCCN(CCOC)C(=O)CCCCCCCCC=C
Structure:
CAS RN: 102433-36-3
CAS Name: 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[cyano(phenyl)methyl]urea
MOLECULAR FORMULA: C11H12ClN3O
MOLECULAR WEIGHT: 237.68548
SMILES: C1=CC=C(C=C1)C(C#N)NC(=O)NCCCl
Structure:
CAS RN: 102107-50-6
CAS Name: N-(1-phenylpropan-2-yl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(1-methyl-2-phenyl-ethyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(1-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(1-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC(CC1=CC=CC=C1)NC2=NCCO2
Structure:
CAS RN: 102107-51-7
CAS Name: N-(1-phenylpropan-2-yl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(1-methyl-2-phenyl-ethyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(1-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(1-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC(CC1=CC=CC=C1)NC2=NCCO2
Structure:
CAS RN: 101931-60-6
CAS Name: 1-(4-morpholinyl)-1-tridecanone
OPENEYE Name: 1-morpholinotridecan-1-one
IUPAC Name: 1-morpholin-4-yltridecan-1-one
SYSTEMATIC NAME: 1-morpholin-4-yltridecan-1-one
MOLECULAR FORMULA: C17H33NO2
MOLECULAR WEIGHT: 283.44942
SMILES: CCCCCCCCCCCCC(=O)N1CCOCC1
Structure:
CAS RN: 10257-99-5
CAS Name: 1-(9-carbazolyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-carbazol-9-yl-3-(2-chloroethyl)urea
IUPAC Name: 1-carbazol-9-yl-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-carbazol-9-yl-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C15H14ClN3O
MOLECULAR WEIGHT: 287.74416
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2NC(=O)NCCCl
Structure:
CAS RN: 19158-30-6
CAS Name: 6-(4-morpholinyl)-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
OPENEYE Name: 6-morpholino-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
IUPAC Name: 6-morpholin-4-yl-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
SYSTEMATIC NAME: 6-morpholin-4-yl-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
MOLECULAR FORMULA: C17H23NO3S
MOLECULAR WEIGHT: 321.43442
SMILES: C1CCC2(C(C1)S(=O)(=O)C2C3=CC=CC=C3)N4CCOCC4
Structure:
CAS RN: 19228-91-2
CAS Name: 6-(4-morpholinyl)-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
OPENEYE Name: 6-morpholino-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
IUPAC Name: 6-morpholin-4-yl-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
SYSTEMATIC NAME: 6-morpholin-4-yl-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide
MOLECULAR FORMULA: C17H23NO3S
MOLECULAR WEIGHT: 321.43442
SMILES: C1CCC2(C(C1)S(=O)(=O)C2C3=CC=CC=C3)N4CCOCC4
Structure:
CAS RN: 102571-10-8
CAS Name: N-(2,5-dimethylcyclopentyl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(2,5-dimethylcyclopentyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(2,5-dimethylcyclopentyl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(2,5-dimethylcyclopentyl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: CC1CCC(C1NC2=NCCO2)C
Structure:
CAS RN: 102571-11-9
CAS Name: N-(3-methylcyclopentyl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(3-methylcyclopentyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(3-methylcyclopentyl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(3-methylcyclopentyl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CC1CCC(C1)NC2=NCCO2
Structure:
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