CAS RN: 14917-55-6
CAS Name: 2-methoxy-6-methyloxane-3,4,5-triol
OPENEYE Name: 2-methoxy-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-methoxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-methoxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C7H14O5
MOLECULAR WEIGHT: 178.18306
SMILES: CC1C(C(C(C(O1)OC)O)O)O
Structure:
CAS RN: 14687-15-1
CAS Name: 2-methoxy-6-methyloxane-3,4,5-triol
OPENEYE Name: 2-methoxy-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-methoxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-methoxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C7H14O5
MOLECULAR WEIGHT: 178.18306
SMILES: CC1C(C(C(C(O1)OC)O)O)O
Structure:
CAS RN: 72119-76-7
CAS Name: 1-(2-methylbut-3-yn-2-yl)piperidine
OPENEYE Name: 1-(1,1-dimethylprop-2-ynyl)piperidine
IUPAC Name: 1-(2-methylbut-3-yn-2-yl)piperidine
SYSTEMATIC NAME: 1-(2-methylbut-3-yn-2-yl)piperidine
MOLECULAR FORMULA: C10H17N
MOLECULAR WEIGHT: 151.24868
SMILES: CC(C)(C#C)N1CCCCC1
Structure:
CAS RN: 62-83-9
CAS Name: 7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-7,17-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: CC12CCC3C(C1CCC2O)C(CC4=CC(=O)CCC34C)O
Structure:
CAS RN: 2569-77-9
CAS Name: 5,6,7-trimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5,6,7-trimethoxy-2-(4-methoxyphenyl)chroman-4-one
IUPAC Name: 5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
Structure:
CAS RN: 83800-93-5
CAS Name: 1,2,6-trimethyl-4,4-diphenylpiperidine
OPENEYE Name: 1,2,6-trimethyl-4,4-diphenyl-piperidine
IUPAC Name: 1,2,6-trimethyl-4,4-diphenylpiperidine
SYSTEMATIC NAME: 1,2,6-trimethyl-4,4-diphenyl-piperidine
MOLECULAR FORMULA: C20H25N
MOLECULAR WEIGHT: 279.4192
SMILES: CC1CC(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 6945-42-2
CAS Name: 2-[3-(carboxymethyl)-2-methyl-4-piperidinyl]acetic acid
OPENEYE Name: 2-[3-(carboxymethyl)-2-methyl-4-piperidyl]acetic acid
IUPAC Name: 2-[3-(carboxymethyl)-2-methylpiperidin-4-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(2-hydroxy-2-oxoethyl)-2-methyl-piperidin-4-yl]ethanoic acid
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: CC1C(C(CCN1)CC(=O)O)CC(=O)O
Structure:
CAS RN: 837-78-5
CAS Name: 2-(1-methyl-4-piperidinylidene)propanedinitrile
OPENEYE Name: 2-(1-methyl-4-piperidylidene)propanedinitrile
IUPAC Name: 2-(1-methylpiperidin-4-ylidene)propanedinitrile
SYSTEMATIC NAME: 2-(1-methylpiperidin-4-ylidene)propanedinitrile
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: CN1CCC(=C(C#N)C#N)CC1
Structure:
CAS RN: 3059-71-0
CAS Name: 2,5-dimethyl-1H-pyrimidin-6-one
OPENEYE Name: 2,5-dimethyl-1H-pyrimidin-6-one
IUPAC Name: 2,5-dimethyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2,5-dimethyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CC1=CN=C(NC1=O)C
Structure:
CAS RN: 100365-72-8
CAS Name: 3-methyl-1-pyrazolecarboxamide
OPENEYE Name: 3-methylpyrazole-1-carboxamide
IUPAC Name: 3-methylpyrazole-1-carboxamide
SYSTEMATIC NAME: 3-methylpyrazole-1-carboxamide
MOLECULAR FORMULA: C5H7N3O
MOLECULAR WEIGHT: 125.12858
SMILES: CC1=NN(C=C1)C(=O)N
Structure:
CAS RN: 72142-73-5
CAS Name: 1-(dibutylamino)-2-phenyl-2-propanol
OPENEYE Name: 1-(dibutylamino)-2-phenyl-propan-2-ol
IUPAC Name: 1-(dibutylamino)-2-phenylpropan-2-ol
SYSTEMATIC NAME: 1-(dibutylamino)-2-phenyl-propan-2-ol
MOLECULAR FORMULA: C17H29NO
MOLECULAR WEIGHT: 263.41826
SMILES: CCCCN(CCCC)CC(C)(C1=CC=CC=C1)O
Structure:
CAS RN: 65967-01-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC
Structure:
CAS RN: 38838-26-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC
Structure:
CAS RN: 16886-54-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC
Structure:
CAS RN: 71552-25-5
CAS Name: 4-[(2,6-diamino-5-nitroso-4-pyrimidinyl)amino]phenol
OPENEYE Name: 4-[(2,6-diamino-5-nitroso-pyrimidin-4-yl)amino]phenol
IUPAC Name: 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]phenol
SYSTEMATIC NAME: 4-[[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]amino]phenol
MOLECULAR FORMULA: C10H10N6O2
MOLECULAR WEIGHT: 246.2254
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)O
Structure:
CAS RN: 6340-66-5
CAS Name: 4-[(2,6-diamino-5-nitroso-4-pyrimidinyl)amino]phenol
OPENEYE Name: 4-[(2,6-diamino-5-nitroso-pyrimidin-4-yl)amino]phenol
IUPAC Name: 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]phenol
SYSTEMATIC NAME: 4-[[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]amino]phenol
MOLECULAR FORMULA: C10H10N6O2
MOLECULAR WEIGHT: 246.2254
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)O
Structure:
CAS RN: 23348-41-6
CAS Name: tert-butylsulfonylmethylbenzene
OPENEYE Name: tert-butylsulfonylmethylbenzene
IUPAC Name: tert-butylsulfonylmethylbenzene
SYSTEMATIC NAME: tert-butylsulfonylmethylbenzene
MOLECULAR FORMULA: C11H16O2S
MOLECULAR WEIGHT: 212.30854
SMILES: CC(C)(C)S(=O)(=O)CC1=CC=CC=C1
Structure:
CAS RN: 90735-61-8
CAS Name: 1,4-bis(methylsulfonyl)butane
OPENEYE Name: 1,4-bis(methylsulfonyl)butane
IUPAC Name: 1,4-bis(methylsulfonyl)butane
SYSTEMATIC NAME: 1,4-bis(methylsulfonyl)butane
MOLECULAR FORMULA: C6H14O4S2
MOLECULAR WEIGHT: 214.30296
SMILES: CS(=O)(=O)CCCCS(=O)(=O)C
Structure:
CAS RN: 91914-08-8
CAS Name: N-(4-bromo-2-phenylphenyl)acetamide
OPENEYE Name: N-(4-bromo-2-phenyl-phenyl)acetamide
IUPAC Name: N-(4-bromo-2-phenylphenyl)acetamide
SYSTEMATIC NAME: N-(4-bromanyl-2-phenyl-phenyl)ethanamide
MOLECULAR FORMULA: C14H12BrNO
MOLECULAR WEIGHT: 290.15518
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C2=CC=CC=C2
Structure:
CAS RN: 6327-63-5
CAS Name: 2-bromo-6-phenylphenanthridine
OPENEYE Name: 2-bromo-6-phenyl-phenanthridine
IUPAC Name: 2-bromo-6-phenylphenanthridine
SYSTEMATIC NAME: 2-bromanyl-6-phenyl-phenanthridine
MOLECULAR FORMULA: C19H12BrN
MOLECULAR WEIGHT: 334.20928
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C4=CC=CC=C42
Structure:
CAS RN: 1483-24-5
CAS Name: N-methylbenzohydrazide
OPENEYE Name: N-methylbenzohydrazide
IUPAC Name: N-methylbenzohydrazide
SYSTEMATIC NAME: N-methylbenzohydrazide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CN(C(=O)C1=CC=CC=C1)N
Structure:
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