(2-acetamido-9-butyl-purin-6-yl) N,N-diphenylcarbamate

Systemtic Name: (2-acetamido-9-butyl-purin-6-yl) N,N-diphenylcarbamate Openeye Name: (2-acetamido-9-butyl-purin-6-yl) N,N-diphenylcarbamate CAS Name: N,N-diphenylcarbamic acid (2-acetamido-9-butyl-6-purinyl) ester IUPAC Name: (2-acetamido-9-butylpurin-6-yl) N,N-diphenylcarbamate Traditional Name: N,N-diphenylcarbamic acid (2-acetamido-9-butyl-purin-6-yl) ester Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C24H24N6O3/c1-3-4-15-29-16-25-20-21(29)27-23(26-17(2)31)28-22(20)33-24(32)30(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3,(H,26,27,28,31)