CAS RN: 57224-63-2
CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester
OPENEYE Name: methyl 2-(benzyloxycarbonylamino)-3-hydroxy-butanoate
IUPAC Name: methyl 3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
SYSTEMATIC NAME: methyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoate
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CC(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O
Structure:
CAS RN: 60374-25-6
CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[[(2-nitrophenyl)thio]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-amino-5-guanidino-pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid
IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C21H28N6O6S
MOLECULAR WEIGHT: 492.54862
SMILES: C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N
Structure:
CAS RN: 76349-10-5
CAS Name: N-methylcarbamic acid (2-methyl-4-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-methyl-4-oxo-1H-pyridin-3-yl) N-methylcarbamate
IUPAC Name: (2-methyl-4-oxo-1H-pyridin-3-yl) N-methylcarbamate
SYSTEMATIC NAME: (2-methyl-4-oxidanylidene-1H-pyridin-3-yl) N-methylcarbamate
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CC1=C(C(=O)C=CN1)OC(=O)NC
Structure:
CAS RN: 37749-01-2
CAS Name: 3-hydroxy-6-(1-piperidinylmethyl)-1H-pyridin-2-one
OPENEYE Name: 3-hydroxy-6-(1-piperidylmethyl)-1H-pyridin-2-one
IUPAC Name: 3-hydroxy-6-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SYSTEMATIC NAME: 3-oxidanyl-6-(piperidin-1-ylmethyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: C1CCN(CC1)CC2=CC=C(C(=O)N2)O
Structure:
CAS RN: 1523-45-1
CAS Name: 2-butyl-6-phenylpyrazolo[1,2-a]cinnoline-1,3-dione
OPENEYE Name: 2-butyl-6-phenyl-pyrazolo[1,2-a]cinnoline-1,3-dione
IUPAC Name: 2-butyl-6-phenylpyrazolo[1,2-a]cinnoline-1,3-dione
SYSTEMATIC NAME: 2-butyl-6-phenyl-pyrazolo[1,2-a]cinnoline-1,3-dione
MOLECULAR FORMULA: C21H20N2O2
MOLECULAR WEIGHT: 332.3957
SMILES: CCCCC1C(=O)N2C=C(C3=CC=CC=C3N2C1=O)C4=CC=CC=C4
Structure:
CAS RN: 59987-32-5
CAS Name: 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
OPENEYE Name: 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
IUPAC Name: 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
SYSTEMATIC NAME: 10-chloranyl-3-(ethoxymethyl)-9-oxidanylidene-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
MOLECULAR FORMULA: C15H14ClNO6
MOLECULAR WEIGHT: 339.72776
SMILES: CCOCC1COC2=C(O1)C=C3C(=C2Cl)C(=O)C(=CN3)C(=O)O
Structure:
CAS RN: 58816-03-8
CAS Name: (3,5-dimethyl-4-pyridinyl)phosphonic acid
OPENEYE Name: (3,5-dimethyl-4-pyridyl)phosphonic acid
IUPAC Name: (3,5-dimethylpyridin-4-yl)phosphonic acid
SYSTEMATIC NAME: (3,5-dimethylpyridin-4-yl)phosphonic acid
MOLECULAR FORMULA: C7H10NO3P
MOLECULAR WEIGHT: 187.132961
SMILES: CC1=CN=CC(=C1P(=O)(O)O)C
Structure:
CAS RN: 58816-02-7
CAS Name: (3-methyl-4-pyridinyl)phosphonic acid
OPENEYE Name: (3-methyl-4-pyridyl)phosphonic acid
IUPAC Name: (3-methylpyridin-4-yl)phosphonic acid
SYSTEMATIC NAME: (3-methylpyridin-4-yl)phosphonic acid
MOLECULAR FORMULA: C6H8NO3P
MOLECULAR WEIGHT: 173.106381
SMILES: CC1=C(C=CN=C1)P(=O)(O)O
Structure:
CAS RN: 58815-96-6
CAS Name: 4-di(propan-2-yloxy)phosphorylpyridine
OPENEYE Name: 4-diisopropoxyphosphorylpyridine
IUPAC Name: 4-di(propan-2-yloxy)phosphorylpyridine
SYSTEMATIC NAME: 4-di(propan-2-yloxy)phosphorylpyridine
MOLECULAR FORMULA: C11H18NO3P
MOLECULAR WEIGHT: 243.239281
SMILES: CC(C)OP(=O)(C1=CC=NC=C1)OC(C)C
Structure:
CAS RN: 59940-34-0
CAS Name: 4-[2-(diethylamino)ethylamino]-2H-phthalazin-1-one
OPENEYE Name: 4-[2-(diethylamino)ethylamino]-2H-phthalazin-1-one
IUPAC Name: 4-[2-(diethylamino)ethylamino]-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-[2-(diethylamino)ethylamino]-2H-phthalazin-1-one
MOLECULAR FORMULA: C14H20N4O
MOLECULAR WEIGHT: 260.3348
SMILES: CCN(CC)CCNC1=NNC(=O)C2=CC=CC=C21
Structure:
CAS RN: 59940-33-9
CAS Name: 4-[2-hydroxyethyl(methyl)amino]-2H-phthalazin-1-one
OPENEYE Name: 4-[2-hydroxyethyl(methyl)amino]-2H-phthalazin-1-one
IUPAC Name: 4-[2-hydroxyethyl(methyl)amino]-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-[2-hydroxyethyl(methyl)amino]-2H-phthalazin-1-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CN(CCO)C1=NNC(=O)C2=CC=CC=C21
Structure:
CAS RN: 59940-30-6
CAS Name: 4-(2-hydroxypropylamino)-2H-phthalazin-1-one
OPENEYE Name: 4-(2-hydroxypropylamino)-2H-phthalazin-1-one
IUPAC Name: 4-(2-hydroxypropylamino)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(2-oxidanylpropylamino)-2H-phthalazin-1-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CC(CNC1=NNC(=O)C2=CC=CC=C21)O
Structure:
CAS RN: 59940-27-1
CAS Name: 4-(4-hydroxybutylamino)-2H-phthalazin-1-one
OPENEYE Name: 4-(4-hydroxybutylamino)-2H-phthalazin-1-one
IUPAC Name: 4-(4-hydroxybutylamino)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(4-oxidanylbutylamino)-2H-phthalazin-1-one
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: C1=CC=C2C(=C1)C(=O)NN=C2NCCCCO
Structure:
CAS RN: 53442-56-1
CAS Name: 4-(3-hydroxypropylamino)-2H-phthalazin-1-one
OPENEYE Name: 4-(3-hydroxypropylamino)-2H-phthalazin-1-one
IUPAC Name: 4-(3-hydroxypropylamino)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(3-oxidanylpropylamino)-2H-phthalazin-1-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: C1=CC=C2C(=C1)C(=O)NN=C2NCCCO
Structure:
CAS RN: 23279-81-4
CAS Name: 4-(2-hydroxyethylamino)-2H-phthalazin-1-one
OPENEYE Name: 4-(2-hydroxyethylamino)-2H-phthalazin-1-one
IUPAC Name: 4-(2-hydroxyethylamino)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(2-hydroxyethylamino)-2H-phthalazin-1-one
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1=CC=C2C(=C1)C(=O)NN=C2NCCO
Structure:
CAS RN: 79814-65-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H81N7O16
MOLECULAR WEIGHT: 1060.23684
SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O
Structure:
CAS RN: 62251-60-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H34O8
MOLECULAR WEIGHT: 450.52196
SMILES: CC(=O)OC1CCC2(C(C1)CC3C4C2CC(C(C4CC(=O)O3)(C)C(=O)OC)OC(=O)C)C
Structure:
CAS RN: 62950-37-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H35ClO9
MOLECULAR WEIGHT: 527.0037
SMILES: CC1C2C(C(C(=C)CCC(C3(C(CC4C(C3C2OC(=O)C)(O4)C)OC(=O)C)C)OC(=O)C)Cl)OC1=O
Structure:
CAS RN: 54340-59-9
CAS Name: 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid ethyl ester
OPENEYE Name: ethyl 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
IUPAC Name: ethyl 10-chloro-3-(ethoxymethyl)-9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
SYSTEMATIC NAME: ethyl 10-chloranyl-3-(ethoxymethyl)-9-oxidanylidene-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylate
MOLECULAR FORMULA: C17H18ClNO6
MOLECULAR WEIGHT: 367.78092
SMILES: CCOCC1COC2=C(O1)C=C3C(=C2Cl)C(=O)C(=CN3)C(=O)OCC
Structure:
CAS RN: 56484-24-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC(C)C1CCC2(C13CCC(O3)(CC2)C)C
Structure:
CAS RN: 57179-26-7
CAS Name: 6-amino-7-methoxy-2-(2-pyridinyl)quinoline-5,8-dione
OPENEYE Name: 6-amino-7-methoxy-2-(2-pyridyl)quinoline-5,8-dione
IUPAC Name: 6-amino-7-methoxy-2-pyridin-2-ylquinoline-5,8-dione
SYSTEMATIC NAME: 6-azanyl-7-methoxy-2-pyridin-2-yl-quinoline-5,8-dione
MOLECULAR FORMULA: C15H11N3O3
MOLECULAR WEIGHT: 281.26614
SMILES: COC1=C(C(=O)C2=C(C1=O)N=C(C=C2)C3=CC=CC=N3)N
Structure:
CAS RN: 64678-98-4
CAS Name: 5-amino-6-(6-amino-7-methoxy-5,8-dioxo-2-quinolinyl)-3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 5-amino-6-(6-amino-7-methoxy-5,8-dioxo-2-quinolyl)-3-methyl-pyridine-2-carboxylic acid
IUPAC Name: 5-amino-6-(6-amino-7-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-6-[6-azanyl-7-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-3-methyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C17H14N4O5
MOLECULAR WEIGHT: 354.31686
SMILES: CC1=CC(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)OC)N)N
Structure:
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