N-(1,3-benzodioxol-5-yl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C24H31N5O5 MolecularWeight: 469.53344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N5O5/c1-3-5-7-13-28-19(26-22-21(28)23(31)27-24(32)29(22)12-6-4-2)10-11-20(30)25-16-8-9-17-18(14-16)34-15-33-17/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,25,30)(H,27,31,32)