3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-cyclopropyl-N-(p-tolylmethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-cyclopropyl-N-(4-methylbenzyl)propionamide Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC3=CC=C(C=C3)C)C4CC4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC3=CC=C(C=C3)C)C4CC4

InChI

InChI=1S/C28H39N5O3/c1-4-6-8-18-31-23(29-26-25(31)27(35)30-28(36)32(26)17-7-5-2)15-16-24(34)33(22-13-14-22)19-21-11-9-20(3)10-12-21/h9-12,22H,4-8,13-19H2,1-3H3,(H,30,35,36)