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79593-42-3 | ethyl 2-(1-amino-2-ethoxycarbonyl-3-oxo-but-1-enyl)-4-carbamoyl-6-methyl-pyrimidine-5-carboxylate
CAS No: 79593-42-3 Catalog No: AG0051A5 MDL No:
Product Description
Catalog Number:
AG0051A5
Chemical Name:
ethyl 2-(1-amino-2-ethoxycarbonyl-3-oxo-but-1-enyl)-4-carbamoyl-6-methyl-pyrimidine-5-carboxylate
CAS Number:
79593-42-3
Molecular Formula:
C16H20N4O6
Molecular Weight:
364.3532
IUPAC Name:
ethyl 4-carbamoyl-2-[(Z)-2-ethoxycarbonyl-3-hydroxybut-2-enimidoyl]-6-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C16H20N4O6/c1-5-25-15(23)9-7(3)19-14(20-12(9)13(18)22)11(17)10(8(4)21)16(24)26-6-2/h17,21H,5-6H2,1-4H3,(H2,18,22)/b10-8-,17-11?
InChI Key:
GQNUGIGBEFIRSU-XGIPIQMNSA-N
SMILES:
CCOC(=O)C(=C(c1nc(C)c(c(n1)C(=O)N)C(=O)OCC)N)C(=O)C
NSC Number:
357592
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
364.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.358g/mol
Monoisotopic Mass:
364.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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