CAS RN: 73851-44-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16N6O4S
MOLECULAR WEIGHT: 364.37964
SMILES: CSC1=NC=NC2=C1C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N
Structure:
CAS RN: 57680-48-5
CAS Name: 2-(hydroxymethyl)-5-[4-(methylthio)-1-triazolo[4,5-c]pyridinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(4-methylsulfanyltriazolo[4,5-c]pyridin-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-methylsulfanyltriazolo[4,5-c]pyridin-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-methylsulfanyl-[1,2,3]triazolo[4,5-c]pyridin-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=NC=CC2=C1N=NN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 57362-83-1
CAS Name: N-[oxo(2H-triazol-4-yl)methyl]carbamic acid methyl ester
OPENEYE Name: methyl N-(2H-triazole-4-carbonyl)carbamate
IUPAC Name: methyl N-(2H-triazole-4-carbonyl)carbamate
SYSTEMATIC NAME: methyl N-(2H-1,2,3-triazol-4-ylcarbonyl)carbamate
MOLECULAR FORMULA: C5H6N4O3
MOLECULAR WEIGHT: 170.12614
SMILES: COC(=O)NC(=O)C1=NNN=C1
Structure:
CAS RN: 69100-09-0
CAS Name: 3-[3,4-dihydroxy-5-(iodomethyl)-2-oxolanyl]pyrrole-2,5-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[5-(iodanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C9H10INO5
MOLECULAR WEIGHT: 339.08387
SMILES: C1=C(C(=O)NC1=O)C2C(C(C(O2)CI)O)O
Structure:
CAS RN: 18791-21-4
CAS Name: N-[2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxy-2-pyridinecarboxamide
OPENEYE Name: 3-hydroxy-N-[10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide
IUPAC Name: N-[2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide
SYSTEMATIC NAME: N-[2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyridine-2-carboxamide
MOLECULAR FORMULA: C27H32N4O8
MOLECULAR WEIGHT: 540.56498
SMILES: CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)C
Structure:
CAS RN: 4382-39-2
CAS Name: 3,5-dichloro-2,4-dihydroxy-6-methylbenzoic acid (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) ester
OPENEYE Name: (3-hydroxy-4-methoxycarbonyl-5-methyl-phenyl) 3,5-dichloro-2,4-dihydroxy-6-methyl-benzoate
IUPAC Name: (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
SYSTEMATIC NAME: (4-methoxycarbonyl-3-methyl-5-oxidanyl-phenyl) 3,5-bis(chloranyl)-2-methyl-4,6-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C17H14Cl2O7
MOLECULAR WEIGHT: 401.19486
SMILES: CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)C
Structure:
CAS RN: 64414-17-1
CAS Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
OPENEYE Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
IUPAC Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
SYSTEMATIC NAME: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
MOLECULAR FORMULA: C13H19GeN
MOLECULAR WEIGHT: 261.93666
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Ge]1(C)C
Structure:
CAS RN: 64414-18-2
CAS Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
OPENEYE Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
IUPAC Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
SYSTEMATIC NAME: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
MOLECULAR FORMULA: C13H19NSi
MOLECULAR WEIGHT: 217.38216
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Si]1(C)C
Structure:
CAS RN: 64414-14-8
CAS Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
OPENEYE Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
IUPAC Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
SYSTEMATIC NAME: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
MOLECULAR FORMULA: C23H23NSi
MOLECULAR WEIGHT: 341.52092
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Si]1(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 64414-15-9
CAS Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
OPENEYE Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
IUPAC Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
SYSTEMATIC NAME: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
MOLECULAR FORMULA: C17H18NP
MOLECULAR WEIGHT: 267.305281
SMILES: CC(C)(C)C1=NC2=CC=CC=C2P1C3=CC=CC=C3
Structure:
CAS RN: 17626-88-9
CAS Name: 2-tert-butyl-1,3-benzothiazole
OPENEYE Name: 2-tert-butyl-1,3-benzothiazole
IUPAC Name: 2-tert-butyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-tert-butyl-1,3-benzothiazole
MOLECULAR FORMULA: C11H13NS
MOLECULAR WEIGHT: 191.29262
SMILES: CC(C)(C)C1=NC2=CC=CC=C2S1
Structure:
CAS RN: 13114-20-0
CAS Name: 3,3-dimethyl-N-phenyl-2-butanimine
OPENEYE Name: 3,3-dimethyl-N-phenyl-butan-2-imine
IUPAC Name: 3,3-dimethyl-N-phenylbutan-2-imine
SYSTEMATIC NAME: 3,3-dimethyl-N-phenyl-butan-2-imine
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CC(=NC1=CC=CC=C1)C(C)(C)C
Structure:
CAS RN: 6372-51-6
CAS Name: (1-cyclohexyl-3-phenyl-2-aziridinyl)-(4-phenylphenyl)methanone
OPENEYE Name: (1-cyclohexyl-3-phenyl-aziridin-2-yl)-(4-phenylphenyl)methanone
IUPAC Name: (1-cyclohexyl-3-phenylaziridin-2-yl)-(4-phenylphenyl)methanone
SYSTEMATIC NAME: (1-cyclohexyl-3-phenyl-aziridin-2-yl)-(4-phenylphenyl)methanone
MOLECULAR FORMULA: C27H27NO
MOLECULAR WEIGHT: 381.50938
SMILES: C1CCC(CC1)N2C(C2C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 32045-79-7
CAS Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)-1-propanone
OPENEYE Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)propan-1-one
IUPAC Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)propan-1-one
SYSTEMATIC NAME: 2,3-bis(bromanyl)-3-phenyl-1-(4-phenylphenyl)propan-1-one
MOLECULAR FORMULA: C21H16Br2O
MOLECULAR WEIGHT: 444.15914
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(C(C3=CC=CC=C3)Br)Br
Structure:
CAS RN: 72836-56-7
CAS Name: 4-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]benzoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 4-[[2-(2-naphthyloxy)acetyl]amino]benzoate
IUPAC Name: 2-(diethylamino)ethyl 4-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-(2-naphthalen-2-yloxyethanoylamino)benzoate
MOLECULAR FORMULA: C25H28N2O4
MOLECULAR WEIGHT: 420.50082
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 53657-37-7
CAS Name: 1-[3,4-dimethoxy-5-(methoxymethyl)-2-oxolanyl]-3-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dimethoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-3-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H20N2O6
MOLECULAR WEIGHT: 300.3077
SMILES: CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COC)OC)OC
Structure:
CAS RN: 65649-47-0
CAS Name: 9-[3,4-dimethoxy-5-(methoxymethyl)-2-oxolanyl]-N-methyl-6-purinamine
OPENEYE Name: 9-[3,4-dimethoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-N-methyl-purin-6-amine
IUPAC Name: 9-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-N-methylpurin-6-amine
SYSTEMATIC NAME: 9-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-N-methyl-purin-6-amine
MOLECULAR FORMULA: C14H21N5O4
MOLECULAR WEIGHT: 323.34764
SMILES: CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)COC)OC)OC
Structure:
CAS RN: 2140-69-4
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O6
MOLECULAR WEIGHT: 258.22796
SMILES: CN1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 50332-66-6
CAS Name: 3-nitro-1H-quinolin-4-one
OPENEYE Name: 3-nitro-1H-quinolin-4-one
IUPAC Name: 3-nitro-1H-quinolin-4-one
SYSTEMATIC NAME: 3-nitro-1H-quinolin-4-one
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
Structure:
CAS RN: 15644-90-3
CAS Name: 6-methoxy-2-methyl-1H-quinolin-4-one
OPENEYE Name: 6-methoxy-2-methyl-1H-quinolin-4-one
IUPAC Name: 6-methoxy-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methoxy-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CC1=CC(=O)C2=C(N1)C=CC(=C2)OC
Structure:
CAS RN: 3033-80-5
CAS Name: 8-methoxy-2-methylquinoline
OPENEYE Name: 8-methoxy-2-methyl-quinoline
IUPAC Name: 8-methoxy-2-methylquinoline
SYSTEMATIC NAME: 8-methoxy-2-methyl-quinoline
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=NC2=C(C=CC=C2OC)C=C1
Structure:
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