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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-veratryl-propionamide Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H37N5O5/c1-5-7-9-15-30-21(28-24-23(30)25(33)29-26(34)31(24)14-8-6-2)12-13-22(32)27-17-18-10-11-19(35-3)20(16-18)36-4/h10-11,16H,5-9,12-15,17H2,1-4H3,(H,27,32)(H,29,33,34)