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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C27H39N5O3/c1-6-8-10-17-31-21(28-25-24(31)26(34)30-27(35)32(25)16-9-7-2)14-15-22(33)29-23-19(5)12-11-13-20(23)18(3)4/h11-13,18H,6-10,14-17H2,1-5H3,(H,29,33)(H,30,34,35)