3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-ethyl-N-phenyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-ethyl-N-phenylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-ethyl-N-phenylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-ethyl-N-phenyl-propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C25H35N5O3/c1-4-7-12-18-29-20(15-16-21(31)28(6-3)19-13-10-9-11-14-19)26-23-22(29)24(32)27-25(33)30(23)17-8-5-2/h9-11,13-14H,4-8,12,15-18H2,1-3H3,(H,27,32,33)