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Reference substances

Reference substances

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General information

Inventory

EC number:
200-658-0
EC name:
Barbituric acid
CAS number:
67-52-7

No inventory information available

Reference substance information

IUPAC name:
1,3-diazinane-2,4,6-trione
Synonyms
Names:
2,4,6(1H,3H,5H)-Pyrimidinetrione
malonylurea
Identifier:
CAS number
67-52-7
Identifier:
IUPAC name
1,3-diazinane-2,4,6-trione
Identifier:
IUPAC name
1,3-diazinane-2,4,6-trione
Identifier:
other: InChl
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) AuxInfo=1/1/N:6,4,5,1,2,3,9,8,7/E:(2,3)(5,6)(7,8)/rA:9CNNCCCOOO/rB:s1;s1;s2;s3;s4s5;d1;d5;d4;/rC:4.0143,-.7568,0;4.0143,-2.3289,0;2.667,0,0;2.667,-3.0749,0;1.3312,-.7622,0;1.3312,-2.3342,0;5.3607,-.0162,0;0,-.0162,0;2.6885,-4.6212,0;
Identifier:
other: SMILES notation
O=C1CC(=O)NC(=O)N1
Identifier:
other: SMILES notation
C1C(=O)NC(=O)NC1=O
pyrimidine-2,4,6(1H,3H,5H)-trione

CAS information

CAS number:
67-52-7

Molecular and structural information

Molecular formula:
C4H4N2O3
Molecular weight:
128.086
SMILES notation:
O=C1CC(=O)NC(=O)N1
InChl:
InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
Structural formula:
Chemical structure