3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,5-dimethoxyphenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,5-dimethoxyphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2,5-dimethoxyphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2,5-dimethoxyphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2,5-dimethoxyphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2,5-dimethoxyphenyl)propionamide Formula: C25H35N5O5 MolecularWeight: 485.5759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C25H35N5O5/c1-5-7-9-15-29-20(27-23-22(29)24(32)28-25(33)30(23)14-8-6-2)12-13-21(31)26-18-16-17(34-3)10-11-19(18)35-4/h10-11,16H,5-9,12-15H2,1-4H3,(H,26,31)(H,28,32,33)