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Specification
The molecular formula is C13H14N4O3.
It was created on July 8, 2005.
The IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylformamide.
The InChI is InChI=1S/C13H14N4O3/c1-16(8-18)10-11(14)17(13(20)15-12(10)19)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3,(H,15,19,20).
The InChIKey is RROCKYIJCHUZTH-UHFFFAOYSA-N.
The canonical SMILES is CN(C=O)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N.
The CAS number is 72816-89-8.
The molecular weight is 274.28 g/mol.
It has 2 hydrogen bond donor counts.
It has 3 rotatable bond counts.
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