185610-53-1

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185610-53-1 Structure

Identification	Back Directory
[Name] Diphenylcarbamic acid 2-[(2-methyl-1-oxopropyl)amino]-1H-purin-6-yl ester
[CAS] 185610-53-1
[Synonyms] N2-(isobutyryl-O6-diphenylcarbamoyl)guanine Diphenylcarbamic acid 2-[(2-methyl-1-oxopropyl)amino]-1H-purin-6-yl ester Carbamic acid, N,N-diphenyl-, 2-[(2-methyl-1-oxopropyl)amino]-9H-purin-6-yl ester
[Molecular Formula] C22H20N6O3
[MDL Number] MFCD01830836
[MOL File] 185610-53-1.mol
[Molecular Weight] 416.43

Chemical Properties	Back Directory
[density ] 1.36±0.1 g/cm3(Predicted)
[pka] 5.88±0.40(Predicted)
[InChI] InChI=1S/C22H20N6O3/c1-14(2)19(29)26-21-25-18-17(23-13-24-18)20(27-21)31-22(30)28(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,23,24,25,26,27,29)
[InChIKey] ZFDFVLGKMZTIKZ-UHFFFAOYSA-N
[SMILES] C(OC1=C2C(=NC(NC(=O)C(C)C)=N1)NC=N2)(=O)N(C1=CC=CC=C1)C1=CC=CC=C1

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