N-[2-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]ethyl]ethanamide Openeye Name: N-[2-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propyl-purin-3-yl)ethyl]acetamide CAS Name: N-[2-[8-tert-butyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]ethyl]acetamide IUPAC Name: N-[2-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propylpurin-3-yl)ethyl]acetamide Traditional Name: N-[2-(7-benzyl-8-tert-butyl-2,6-diketo-1-propyl-purin-3-yl)ethyl]acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCNC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCNC(=O)C

InChI

InChI=1S/C23H31N5O3/c1-6-13-27-20(30)18-19(26(22(27)31)14-12-24-16(2)29)25-21(23(3,4)5)28(18)15-17-10-8-7-9-11-17/h7-11H,6,12-15H2,1-5H3,(H,24,29)