[2-(2-methylpropanoylamino)-7H-purin-6-yl] N,N-diphenylcarbamate

Systemtic Name: [2-(2-methylpropanoylamino)-7H-purin-6-yl] N,N-diphenylcarbamate Openeye Name: [2-(2-methylpropanoylamino)-7H-purin-6-yl] N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid [2-[(2-methyl-1-oxopropyl)amino]-7H-purin-6-yl] ester IUPAC Name: [2-(2-methylpropanoylamino)-7H-purin-6-yl] N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid [2-(isobutyrylamino)-7H-purin-6-yl] ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2

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)