CAS RN: 19926-71-7
CAS Name: acetyl phosphate
OPENEYE Name: acetyl phosphate
IUPAC Name: acetyl phosphate
SYSTEMATIC NAME: ethanoyl phosphate
MOLECULAR FORMULA: C2H3O5P-2
MOLECULAR WEIGHT: 138.015981
SMILES: CC(=O)OP(=O)([O-])[O-]
Structure:
CAS RN: 6490-42-2
CAS Name: 1-ethylpyrimidine-2,4-dione
OPENEYE Name: 1-ethylpyrimidine-2,4-dione
IUPAC Name: 1-ethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-ethylpyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CCN1C=CC(=O)NC1=O
Structure:
CAS RN: 114040-50-5
CAS Name: 3,4-difluorobenzenecarboximidamide
OPENEYE Name: 3,4-difluorobenzamidine
IUPAC Name: 3,4-difluorobenzenecarboximidamide
SYSTEMATIC NAME: 3,4-bis(fluoranyl)benzenecarboximidamide
MOLECULAR FORMULA: C7H6F2N2
MOLECULAR WEIGHT: 156.132746
SMILES: C1=CC(=C(C=C1C(=N)N)F)F
Structure:
CAS RN: 69242-40-6
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-methylpentanoic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methyl-pentanoic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[2-(2-azanylethanoylamino)ethanoylamino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C10H19N3O4
MOLECULAR WEIGHT: 245.27556
SMILES: CCC(C)C(C(=O)O)NC(=O)CNC(=O)CN
Structure:
CAS RN: 21762-74-3
CAS Name: 6-nitro-4H-1,4-benzothiazin-3-one
OPENEYE Name: 6-nitro-4H-1,4-benzothiazin-3-one
IUPAC Name: 6-nitro-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 6-nitro-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C8H6N2O3S
MOLECULAR WEIGHT: 210.20984
SMILES: C1C(=O)NC2=C(S1)C=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 80651-94-1
CAS Name: 4-[[1-[[4-methyl-1-oxo-1-[[1-oxo-3-phenyl-1-(phenylmethylthio)propan-2-yl]amino]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[1-benzyl-2-[[1-[(1-benzyl-2-benzylsulfanyl-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[1-[[1-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[1-[[4-methyl-1-oxidanylidene-1-[[1-oxidanylidene-3-phenyl-1-(phenylmethylsulfanyl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C35H41N3O6S
MOLECULAR WEIGHT: 631.78154
SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)SCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CCC(=O)O
Structure:
CAS RN: 332874-04-1
CAS Name: 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]propanoate
OPENEYE Name: 3-[(5-bromopyridine-3-carbonyl)amino]propanoate
IUPAC Name: 3-[(5-bromopyridine-3-carbonyl)amino]propanoate
SYSTEMATIC NAME: 3-[(5-bromanylpyridin-3-yl)carbonylamino]propanoate
MOLECULAR FORMULA: C9H8BrN2O3-
MOLECULAR WEIGHT: 272.07542
SMILES: C1=C(C=NC=C1Br)C(=O)NCCC(=O)[O-]
Structure:
CAS RN: 219312-90-0
CAS Name: 4-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2-piperazinecarboxylic acid
OPENEYE Name: 4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
SYSTEMATIC NAME: 4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: C1CN(CC(N1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Structure:
CAS RN: 62147-49-3
CAS Name: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
OPENEYE Name: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
IUPAC Name: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
SYSTEMATIC NAME: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C1C(OCC(O1)(CO)O)(CO)O
Structure:
CAS RN: 6088-06-8
CAS Name: 1-(4-bromo-2-methylphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-bromo-2-methyl-phenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(4-bromo-2-methylphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-bromanyl-2-methyl-phenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CC1=C(C=CC(=C1)Br)N2C(=O)CCC2=O
Structure:
CAS RN: 1150-37-4
CAS Name: 7,9-dimethoxy-2,3-dihydrocyclopenta[c][1]benzopyran-1,4-dione
OPENEYE Name: 7,9-dimethoxy-2,3-dihydrocyclopenta[c]chromene-1,4-dione
IUPAC Name: 7,9-dimethoxy-2,3-dihydrocyclopenta[c]chromene-1,4-dione
SYSTEMATIC NAME: 7,9-dimethoxy-2,3-dihydrocyclopenta[c]chromene-1,4-dione
MOLECULAR FORMULA: C14H12O5
MOLECULAR WEIGHT: 260.24208
SMILES: COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC
Structure:
CAS RN: 89601-10-5
CAS Name: piperazine-2,5-dicarboxylic acid
OPENEYE Name: piperazine-2,5-dicarboxylic acid
IUPAC Name: piperazine-2,5-dicarboxylic acid
SYSTEMATIC NAME: piperazine-2,5-dicarboxylic acid
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C1C(NCC(N1)C(=O)O)C(=O)O
Structure:
CAS RN: 24242-20-4
CAS Name: 5-amino-2-pyridinecarboxylic acid
OPENEYE Name: 5-aminopyridine-2-carboxylic acid
IUPAC Name: 5-aminopyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-azanylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC(=NC=C1N)C(=O)O
Structure:
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