CAS RN: 73689-65-3
CAS Name: 1,2,3,3a,4,5,6,7,8,8a-decahydroacenaphthylene
OPENEYE Name: 1,2,3,3a,4,5,6,7,8,8a-decahydroacenaphthylene
IUPAC Name: 1,2,3,3a,4,5,6,7,8,8a-decahydroacenaphthylene
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,7,8,8a-decahydroacenaphthylene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1CC2CCC3C2=C(C1)CCC3
Structure:
CAS RN: 7072-01-7
CAS Name: 2,3,5,6-tetramethylterephthalaldehyde
OPENEYE Name: 2,3,5,6-tetramethylterephthalaldehyde
IUPAC Name: 2,3,5,6-tetramethylterephthalaldehyde
SYSTEMATIC NAME: 2,3,5,6-tetramethylterephthalaldehyde
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CC1=C(C(=C(C(=C1C=O)C)C)C=O)C
Structure:
CAS RN: 14092-63-8
CAS Name: 4,4,6,6-tetramethyl-2-oxanone
OPENEYE Name: 4,4,6,6-tetramethyltetrahydropyran-2-one
IUPAC Name: 4,4,6,6-tetramethyloxan-2-one
SYSTEMATIC NAME: 4,4,6,6-tetramethyloxan-2-one
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC1(CC(=O)OC(C1)(C)C)C
Structure:
CAS RN: 23040-89-3
CAS Name: 2,2-dimethyl-3-phenylaziridine
OPENEYE Name: 2,2-dimethyl-3-phenyl-aziridine
IUPAC Name: 2,2-dimethyl-3-phenylaziridine
SYSTEMATIC NAME: 2,2-dimethyl-3-phenyl-aziridine
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: CC1(C(N1)C2=CC=CC=C2)C
Structure:
CAS RN: 52686-86-9
CAS Name: 2-ethyl-2,3,3-trimethylaziridine
OPENEYE Name: 2-ethyl-2,3,3-trimethyl-aziridine
IUPAC Name: 2-ethyl-2,3,3-trimethylaziridine
SYSTEMATIC NAME: 2-ethyl-2,3,3-trimethyl-aziridine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CCC1(C(N1)(C)C)C
Structure:
CAS RN: 13122-88-8
CAS Name: 2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 3-phenyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
SYSTEMATIC NAME: 3-phenyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C26H26N2O5
MOLECULAR WEIGHT: 446.49504
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 88075-69-8
CAS Name: 2,4,6-triamino-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2,4,6-triaminopyrimidine-5-carbaldehyde
IUPAC Name: 2,4,6-triaminopyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2,4,6-tris(azanyl)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C5H7N5O
MOLECULAR WEIGHT: 153.14198
SMILES: C(=O)C1=C(N=C(N=C1N)N)N
Structure:
CAS RN: 21384-11-2
CAS Name: 2-methyl-1-[3-[(2-methyl-1-aziridinyl)sulfonyl]phenyl]sulfonylaziridine
OPENEYE Name: 2-methyl-1-[3-(2-methylaziridin-1-yl)sulfonylphenyl]sulfonyl-aziridine
IUPAC Name: 2-methyl-1-[3-(2-methylaziridin-1-yl)sulfonylphenyl]sulfonylaziridine
SYSTEMATIC NAME: 2-methyl-1-[3-(2-methylaziridin-1-yl)sulfonylphenyl]sulfonyl-aziridine
MOLECULAR FORMULA: C12H16N2O4S2
MOLECULAR WEIGHT: 316.39644
SMILES: CC1CN1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC3C
Structure:
CAS RN: 90841-09-1
CAS Name: 2-(5-acetyl-2,4-dioxo-1-pyrimidinyl)-4-amino-4-oxobutanoic acid
OPENEYE Name: 2-(5-acetyl-2,4-dioxo-pyrimidin-1-yl)-4-amino-4-oxo-butanoic acid
IUPAC Name: 2-(5-acetyl-2,4-dioxopyrimidin-1-yl)-4-amino-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-[5-ethanoyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H11N3O6
MOLECULAR WEIGHT: 269.21084
SMILES: CC(=O)C1=CN(C(=O)NC1=O)C(CC(=O)N)C(=O)O
Structure:
CAS RN: 89713-02-0
CAS Name: 7-amino-6-methyl-1H-imidazo[4,5-d]triazin-4-one
OPENEYE Name: 7-amino-6-methyl-1H-imidazo[4,5-d]triazin-4-one
IUPAC Name: 7-amino-6-methyl-1H-imidazo[4,5-d]triazin-4-one
SYSTEMATIC NAME: 7-azanyl-6-methyl-1H-imidazo[4,5-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C5H6N6O
MOLECULAR WEIGHT: 166.14074
SMILES: CC1=NC2=C(N1N)NN=NC2=O
Structure:
CAS RN: 23815-00-1
CAS Name: N-[1-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[1-benzyl-2-[(1-benzyl-2-hydrazino-2-oxo-ethyl)amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[1-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[(1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C26H28N4O4
MOLECULAR WEIGHT: 460.52492
SMILES: C1=CC=C(C=C1)CC(C(=O)NN)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 21547-28-4
CAS Name: 17-hydroxy-5,13-dimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-hydroxy-5,13-dimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 17-hydroxy-5,13-dimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 5,13-dimethyl-17-oxidanyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CC12CCC3C(C1CCC(=O)C2)CCC4(C3CCC4O)C
Structure:
CAS RN: 60851-83-4
CAS Name: 5-aminophthalazine-1,4-dione
OPENEYE Name: 5-aminophthalazine-1,4-dione
IUPAC Name: 5-aminophthalazine-1,4-dione
SYSTEMATIC NAME: 5-azanylphthalazine-1,4-dione
MOLECULAR FORMULA: C8H5N3O2
MOLECULAR WEIGHT: 175.1442
SMILES: C1=CC2=C(C(=C1)N)C(=O)N=NC2=O
Structure:
CAS RN: 54535-42-1
CAS Name: 5-nitrophthalazine-1,4-dione
OPENEYE Name: 5-nitrophthalazine-1,4-dione
IUPAC Name: 5-nitrophthalazine-1,4-dione
SYSTEMATIC NAME: 5-nitrophthalazine-1,4-dione
MOLECULAR FORMULA: C8H3N3O4
MOLECULAR WEIGHT: 205.12712
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N=NC2=O
Structure:
CAS RN: 26604-52-4
CAS Name: phosphorous acid tris(2,3-dichloropropyl) ester
OPENEYE Name: tris(2,3-dichloropropyl) phosphite
IUPAC Name: tris(2,3-dichloropropyl) phosphite
SYSTEMATIC NAME: tris[2,3-bis(chloranyl)propyl] phosphite
MOLECULAR FORMULA: C9H15Cl6O3P
MOLECULAR WEIGHT: 414.905361
SMILES: C(C(CCl)Cl)OP(OCC(CCl)Cl)OCC(CCl)Cl
Structure:
CAS RN: 6145-79-5
CAS Name: phosphorous acid tris(2,3-dichloropropyl) ester
OPENEYE Name: tris(2,3-dichloropropyl) phosphite
IUPAC Name: tris(2,3-dichloropropyl) phosphite
SYSTEMATIC NAME: tris[2,3-bis(chloranyl)propyl] phosphite
MOLECULAR FORMULA: C9H15Cl6O3P
MOLECULAR WEIGHT: 414.905361
SMILES: C(C(CCl)Cl)OP(OCC(CCl)Cl)OCC(CCl)Cl
Structure:
CAS RN: 17942-42-6
CAS Name: N-[2-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[(1-benzyl-2-hydrazino-2-oxo-ethyl)amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[2-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-[(1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: C1=CC=C(C=C1)CC(C(=O)NN)NC(=O)CNC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 85807-43-8
CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C27H29N3O5
MOLECULAR WEIGHT: 475.53626
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)N
Structure:
CAS RN: 3005-85-4
CAS Name: 4-methyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: 4-methylpyrrolidine-2-carboxylic acid
IUPAC Name: 4-methylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 4-methylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CC1CC(NC1)C(=O)O
Structure:
CAS RN: 363-37-1
CAS Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid
OPENEYE Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid
IUPAC Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid
SYSTEMATIC NAME: 2-acetamido-2-[(5-fluoranyl-1H-indol-3-yl)methyl]propanedioic acid
MOLECULAR FORMULA: C14H13FN2O5
MOLECULAR WEIGHT: 308.261823
SMILES: CC(=O)NC(CC1=CNC2=C1C=C(C=C2)F)(C(=O)O)C(=O)O
Structure:
CAS RN: 3613-10-3
CAS Name: 4-(1-aziridinyl)-7,8-dimethoxy-1-benzopyran-2-one
OPENEYE Name: 4-(aziridin-1-yl)-7,8-dimethoxy-chromen-2-one
IUPAC Name: 4-(aziridin-1-yl)-7,8-dimethoxychromen-2-one
SYSTEMATIC NAME: 4-(aziridin-1-yl)-7,8-dimethoxy-chromen-2-one
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: COC1=C(C2=C(C=C1)C(=CC(=O)O2)N3CC3)OC
Structure:
CAS RN: 3613-11-4
CAS Name: 4-(1-aziridinyl)-7-methoxy-1-benzopyran-2-one
OPENEYE Name: 4-(aziridin-1-yl)-7-methoxy-chromen-2-one
IUPAC Name: 4-(aziridin-1-yl)-7-methoxychromen-2-one
SYSTEMATIC NAME: 4-(aziridin-1-yl)-7-methoxy-chromen-2-one
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)N3CC3
Structure:
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