CAS RN: 6466-00-8
CAS Name: 8-[2-(diethylamino)ethylthio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-[2-(diethylamino)ethylsulfanyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C13H21N5OS2
MOLECULAR WEIGHT: 327.46874
SMILES: CCN(CC)CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:
CAS RN: 19271-00-2
CAS Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
OPENEYE Name: 4-[(6-thioxo-3H-purin-9-yl)methyl]benzenesulfonamide
IUPAC Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
MOLECULAR FORMULA: C12H11N5O2S2
MOLECULAR WEIGHT: 321.37804
SMILES: C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)S(=O)(=O)N
Structure:
CAS RN: 14283-07-9
CAS Name: lithium tetrafluoroborate
OPENEYE Name: lithium tetrafluoroborate
IUPAC Name: lithium tetrafluoroborate
SYSTEMATIC NAME: lithium tetrafluoroborate
MOLECULAR FORMULA: BF4Li
MOLECULAR WEIGHT: 93.745613
SMILES: [Li+].[B-](F)(F)(F)F
Structure:
CAS RN: 79932-97-1
CAS Name: 3-(5-nitro-2-pyridinyl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 3-(5-nitro-2-pyridyl)-6-propyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N4O3S
MOLECULAR WEIGHT: 292.31368
SMILES: CCCC1=CC(=O)N(C(=S)N1)C2=NC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 4359-87-9
CAS Name: 2,4,6-trichloro-5-nitropyrimidine
OPENEYE Name: 2,4,6-trichloro-5-nitro-pyrimidine
IUPAC Name: 2,4,6-trichloro-5-nitropyrimidine
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-5-nitro-pyrimidine
MOLECULAR FORMULA: C4Cl3N3O2
MOLECULAR WEIGHT: 228.4207
SMILES: C1(=C(N=C(N=C1Cl)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 18368-58-6
CAS Name: 5-methyl-1H-pyridine-2-thione
OPENEYE Name: 5-methyl-1H-pyridine-2-thione
IUPAC Name: 5-methyl-1H-pyridine-2-thione
SYSTEMATIC NAME: 5-methyl-1H-pyridine-2-thione
MOLECULAR FORMULA: C6H7NS
MOLECULAR WEIGHT: 125.19148
SMILES: CC1=CNC(=S)C=C1
Structure:
CAS RN: 71550-11-3
CAS Name: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
OPENEYE Name: [allyl(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
SYSTEMATIC NAME: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C5H13NO6P2
MOLECULAR WEIGHT: 245.107342
SMILES: C=CCN(CP(=O)(O)O)CP(=O)(O)O
Structure:
CAS RN: 5672-17-3
CAS Name: 1-(1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)-4-[hydroxy(p-tolyl)methylene]-5-(4-isopropylphenyl)pyrrolidine-2,3-dione
IUPAC Name: 1-(1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C28H24N2O3S
MOLECULAR WEIGHT: 468.56676
SMILES: CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C(C)C)O
Structure:
CAS RN: 874-18-0
CAS Name: 2,4-dibromo-6-chloroaniline
OPENEYE Name: 2,4-dibromo-6-chloro-aniline
IUPAC Name: 2,4-dibromo-6-chloroaniline
SYSTEMATIC NAME: 2,4-bis(bromanyl)-6-chloranyl-aniline
MOLECULAR FORMULA: C6H4Br2ClN
MOLECULAR WEIGHT: 285.36366
SMILES: C1=C(C=C(C(=C1Br)N)Cl)Br
Structure:
CAS RN: 392238-35-6
CAS Name: 5-bromo-N-prop-2-enyl-2-thiophenecarboxamide
OPENEYE Name: N-allyl-5-bromo-thiophene-2-carboxamide
IUPAC Name: 5-bromo-N-prop-2-enylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-prop-2-enyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C8H8BrNOS
MOLECULAR WEIGHT: 246.12422
SMILES: C=CCNC(=O)C1=CC=C(S1)Br
Structure:
CAS RN: 37384-62-6
CAS Name: 5-phenyl-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CCOC(=O)C1=NOC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 20146-25-2
CAS Name: 2-(2-furanyl)-4-quinolinecarboxylate
OPENEYE Name: 2-(2-furyl)quinoline-4-carboxylate
IUPAC Name: 2-(furan-2-yl)quinoline-4-carboxylate
SYSTEMATIC NAME: 2-(furan-2-yl)quinoline-4-carboxylate
MOLECULAR FORMULA: C14H8NO3-
MOLECULAR WEIGHT: 238.21822
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)[O-]
Structure:
CAS RN: 80666-03-1
CAS Name: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydroisobenzofuran-1-ol
OPENEYE Name: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydroisobenzofuran-1-ol
IUPAC Name: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol
SYSTEMATIC NAME: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol
MOLECULAR FORMULA: C22H25NO7
MOLECULAR WEIGHT: 415.4364
SMILES: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(O4)O)C(=C(C=C5)OC)OC)OC)OCO3
Structure:
CAS RN: 49834-22-2
CAS Name: 3-bromo-N-methylbenzamide
OPENEYE Name: 3-bromo-N-methyl-benzamide
IUPAC Name: 3-bromo-N-methylbenzamide
SYSTEMATIC NAME: 3-bromanyl-N-methyl-benzamide
MOLECULAR FORMULA: C8H8BrNO
MOLECULAR WEIGHT: 214.05922
SMILES: CNC(=O)C1=CC(=CC=C1)Br
Structure:
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