CAS RN: 14683-83-1
CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H24N8O5
MOLECULAR WEIGHT: 468.46586
SMILES: CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 1472-93-1
CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H24N8O5
MOLECULAR WEIGHT: 468.46586
SMILES: CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 2488-25-7
CAS Name: N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[1-[[2-hydrazino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamate
IUPAC Name: benzyl N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[(1-diazanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C15H22N4O6
MOLECULAR WEIGHT: 354.35838
SMILES: CC(C(C(=O)NC(CO)C(=O)NN)NC(=O)OCC1=CC=CC=C1)O
Structure:
CAS RN: 377-26-4
CAS Name: acetic acid (17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: [17-ethanoyl-9-fluoranyl-10,13-dimethyl-3,11-bis(oxidanylidene)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H29FO5
MOLECULAR WEIGHT: 404.471763
SMILES: CC(=O)C1(CCC2C1(CC(=O)C3(C2CCC4=CC(=O)CCC43C)F)C)OC(=O)C
Structure:
CAS RN: 2050-50-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H36N2O7
MOLECULAR WEIGHT: 620.69094
SMILES: CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC=C(C=C5)OC6=C7C(=CC(=C6)C[C@H]8C9=C(CCN8C)C=C(C(=O)C9(O4)CO3)OC)OCO7
Structure:
CAS RN: 20398-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H36N2O7
MOLECULAR WEIGHT: 620.69094
SMILES: CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC=C(C=C5)OC6=C7C(=CC(=C6)C[C@H]8C9=C(CCN8C)C=C(C(=O)C9(O4)CO3)OC)OCO7
Structure:
CAS RN: 1356-52-1
CAS Name: N-[chloro-[4-[chloro(nitroso)methylidene]-1-cyclohexa-2,5-dienylidene]methyl]hydroxylamine
OPENEYE Name: N-[chloro-[4-[chloro(nitroso)methylene]cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
IUPAC Name: N-[chloro-[4-[chloro(nitroso)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
SYSTEMATIC NAME: N-[chloranyl-[4-[chloranyl(nitroso)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
MOLECULAR FORMULA: C8H6Cl2N2O2
MOLECULAR WEIGHT: 233.05144
SMILES: C1=CC(=C(N=O)Cl)C=CC1=C(NO)Cl
Structure:
CAS RN: 2896-24-4
CAS Name: 2-(phenylmethyl)benzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-benzylbenzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-benzylbenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(phenylmethyl)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C19H13NO2
MOLECULAR WEIGHT: 287.31202
SMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Structure:
CAS RN: 16160-75-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H15N
MOLECULAR WEIGHT: 137.2221
SMILES: C1CC2CC1C3C2CNC3
Structure:
CAS RN: 568-80-9
CAS Name: 6,8,9,10-tetrahydroxypyrano[3,2-c][2]benzopyran-2,3-dione
OPENEYE Name: 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione
IUPAC Name: 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione
SYSTEMATIC NAME: 6,8,9,10-tetrakis(oxidanyl)pyrano[3,2-c]isochromene-2,3-dione
MOLECULAR FORMULA: C12H6O8
MOLECULAR WEIGHT: 278.17124
SMILES: C1=C(C(=C(C2=C3C(=CC(=O)C(=O)O3)OC(=C21)O)O)O)O
Structure:
CAS RN: 57288-03-6
CAS Name: 6,8,9,10-tetrahydroxypyrano[3,2-c][2]benzopyran-2,3-dione
OPENEYE Name: 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione
IUPAC Name: 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione
SYSTEMATIC NAME: 6,8,9,10-tetrakis(oxidanyl)pyrano[3,2-c]isochromene-2,3-dione
MOLECULAR FORMULA: C12H6O8
MOLECULAR WEIGHT: 278.17124
SMILES: C1=C(C(=C(C2=C3C(=CC(=O)C(=O)O3)OC(=C21)O)O)O)O
Structure:
CAS RN: 27132-53-2
CAS Name: 10-methylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 10-methylpyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 10-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 10-methylpyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: CN1C2=CC=CC=C2C=C3C1=NC(=O)NC3=O
Structure:
CAS RN: 18981-26-5
CAS Name: 6-(4,4-dimethyl-2-oxocyclopentyl)-2-(hydroxymethyl)-4-oxabicyclo[4.2.0]octa-1,7-dien-3-one
OPENEYE Name: 6-(4,4-dimethyl-2-oxo-cyclopentyl)-2-(hydroxymethyl)-4-oxabicyclo[4.2.0]octa-1,7-dien-3-one
IUPAC Name: 6-(4,4-dimethyl-2-oxocyclopentyl)-2-(hydroxymethyl)-4-oxabicyclo[4.2.0]octa-1,7-dien-3-one
SYSTEMATIC NAME: 6-(4,4-dimethyl-2-oxidanylidene-cyclopentyl)-2-(hydroxymethyl)-4-oxabicyclo[4.2.0]octa-1,7-dien-3-one
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC1(CC(C(=O)C1)C23COC(=O)C(=C2C=C3)CO)C
Structure:
CAS RN: 10256-22-1
CAS Name: 1,1-bis(2-bromoethyl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1,1-bis(2-bromoethyl)-3-(1-naphthyl)urea
IUPAC Name: 1,1-bis(2-bromoethyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1,1-bis(2-bromoethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C15H16Br2N2O
MOLECULAR WEIGHT: 400.10834
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr
Structure:
CAS RN: 69200-76-6
CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
OPENEYE Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1C(OC2=CC=CC=C2O1)CCC(=O)O
Structure:
CAS RN: 6945-46-6
CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
OPENEYE Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1C(OC2=CC=CC=C2O1)CCC(=O)O
Structure:
CAS RN: 41424-11-7
CAS Name: 1-(2-hydroxyethyl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-(1-naphthyl)urea
IUPAC Name: 1-(2-hydroxyethyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCO
Structure:
CAS RN: 102613-36-5
CAS Name: 1-(2-hydroxyethyl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-(1-naphthyl)urea
IUPAC Name: 1-(2-hydroxyethyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCO
Structure:
CAS RN: 2799-78-2
CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-propanol
OPENEYE Name: 1-(2-chlorophenothiazin-10-yl)propan-2-ol
IUPAC Name: 1-(2-chlorophenothiazin-10-yl)propan-2-ol
SYSTEMATIC NAME: 1-(2-chloranylphenothiazin-10-yl)propan-2-ol
MOLECULAR FORMULA: C15H14ClNOS
MOLECULAR WEIGHT: 291.79576
SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O
Structure:
CAS RN: 18616-05-2
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1C(OC2=CC=CC=C2O1)CC(=O)O
Structure:
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