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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-methoxyethyl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-methoxyethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-methoxyethyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-methoxyethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-benzyl-N-(2-methoxyethyl)propionamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O4/c1-4-6-11-17-31-22(28-25-24(31)26(34)29-27(35)32(25)16-7-5-2)14-15-23(33)30(18-19-36-3)20-21-12-9-8-10-13-21/h8-10,12-13H,4-7,11,14-20H2,1-3H3,(H,29,34,35)